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Epi
DBase
Small molecule modulators of Epigenetic proteins
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Protein Name
Protein Structure
Compounds
KDM1B
KDM1B
Click to Expand
total 36 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
AWDVIWDQLLQH
AWDVIWDQLLQH
Property
Value
Molecule Weight
1523.71
Acceptor count
33
Donor count
20
XLOGP
-1.91
Rotatable bond
72
Aromatic rings
5
Download 2D Structure
Download 3D Structure
10
-
-
-
25014588
1S_2R_plus_trans_PCPA_HCl
1S_2R_plus_trans_PCPA_HCl
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1R_2S_minus_trans_PCPA_HCl
1R_2S_minus_trans_PCPA_HCl
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1S_2R_Br_plus_trans_PCPA_HCl
1S_2R_Br_plus_trans_PCPA_HCl
Property
Value
Molecule Weight
212.09
Acceptor count
1
Donor count
1
XLOGP
2.23
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1R_2S_Br_minus_trans_PCPA_HCl
1R_2S_Br_minus_trans_PCPA_HCl
Property
Value
Molecule Weight
212.09
Acceptor count
1
Donor count
1
XLOGP
2.23
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1S_2S_plus_cis_PCPA_HCl
1S_2S_plus_cis_PCPA_HCl
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1R_2R_minus_cis_PCPA_HCl
1R_2R_minus_cis_PCPA_HCl
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1S_2S_Br_plus_cis_PCPA_HCl
1S_2S_Br_plus_cis_PCPA_HCl
Property
Value
Molecule Weight
212.09
Acceptor count
1
Donor count
1
XLOGP
2.23
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
1R_2R_Br_minus_cis_PCPA_HCl
1R_2R_Br_minus_cis_PCPA_HCl
Property
Value
Molecule Weight
212.09
Acceptor count
1
Donor count
1
XLOGP
2.23
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
Tranylcypromine_derv_trans_13a
Tranylcypromine_derv_trans_13a
Property
Value
Molecule Weight
282.34
Acceptor count
4
Donor count
2
XLOGP
2.68
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
Tranylcypromine_derv_trans_13b
Tranylcypromine_derv_trans_13b
Property
Value
Molecule Weight
252.32
Acceptor count
3
Donor count
2
XLOGP
2.39
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
Tranylcypromine_derv_trans_14e
Tranylcypromine_derv_trans_14e
Property
Value
Molecule Weight
429.52
Acceptor count
6
Donor count
3
XLOGP
3.76
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
Tranylcypromine_derv__cis_15
Tranylcypromine_derv__cis_15
Property
Value
Molecule Weight
429.52
Acceptor count
6
Donor count
3
XLOGP
3.76
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
Tranylcypromine_derv_trans_14l
Tranylcypromine_derv_trans_14l
Property
Value
Molecule Weight
468.56
Acceptor count
6
Donor count
4
XLOGP
3.82
Rotatable bond
12
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
-
20415477
Tranylcypromine_derv_trans_13c
Tranylcypromine_derv_trans_13c
Property
Value
Molecule Weight
302.38
Acceptor count
3
Donor count
2
XLOGP
3.68
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_13d
Tranylcypromine_derv_trans_13d
Property
Value
Molecule Weight
302.38
Acceptor count
3
Donor count
2
XLOGP
3.68
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_13e
Tranylcypromine_derv_trans_13e
Property
Value
Molecule Weight
328.41
Acceptor count
3
Donor count
2
XLOGP
4.31
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
No Inhibition
-
-
-
20415477
Tranylcypromine_derv_trans_13f
Tranylcypromine_derv_trans_13f
Property
Value
Molecule Weight
266.34
Acceptor count
3
Donor count
2
XLOGP
2.5
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_13g
Tranylcypromine_derv_trans_13g
Property
Value
Molecule Weight
316.4
Acceptor count
3
Donor count
2
XLOGP
3.78
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_13h
Tranylcypromine_derv_trans_13h
Property
Value
Molecule Weight
316.4
Acceptor count
3
Donor count
2
XLOGP
3.78
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14a
Tranylcypromine_derv_trans_14a
Property
Value
Molecule Weight
381.47
Acceptor count
6
Donor count
3
XLOGP
3.06
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14b
Tranylcypromine_derv_trans_14b
Property
Value
Molecule Weight
395.5
Acceptor count
6
Donor count
3
XLOGP
3.51
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14c
Tranylcypromine_derv_trans_14c
Property
Value
Molecule Weight
435.57
Acceptor count
6
Donor count
3
XLOGP
4.52
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14d
Tranylcypromine_derv_trans_14d
Property
Value
Molecule Weight
415.49
Acceptor count
6
Donor count
3
XLOGP
3.66
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14f
Tranylcypromine_derv_trans_14f
Property
Value
Molecule Weight
508.41
Acceptor count
6
Donor count
3
XLOGP
4.55
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
-
20415477
Tranylcypromine_derv_trans_14g
Tranylcypromine_derv_trans_14g
Property
Value
Molecule Weight
459.55
Acceptor count
7
Donor count
3
XLOGP
3.72
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14h
Tranylcypromine_derv_trans_14h
Property
Value
Molecule Weight
443.55
Acceptor count
6
Donor count
3
XLOGP
4.21
Rotatable bond
13
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14i
Tranylcypromine_derv_trans_14i
Property
Value
Molecule Weight
505.62
Acceptor count
6
Donor count
3
XLOGP
5.5
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14j
Tranylcypromine_derv_trans_14j
Property
Value
Molecule Weight
479.58
Acceptor count
6
Donor count
3
XLOGP
5.04
Rotatable bond
12
Aromatic rings
4
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_14k
Tranylcypromine_derv_trans_14k
Property
Value
Molecule Weight
479.58
Acceptor count
6
Donor count
3
XLOGP
5.04
Rotatable bond
12
Aromatic rings
4
Download 2D Structure
Download 3D Structure
No Inhibition
-
-
-
20415477
Tranylcypromine_derv_trans_14m
Tranylcypromine_derv_trans_14m
Property
Value
Molecule Weight
485.61
Acceptor count
6
Donor count
3
XLOGP
4.31
Rotatable bond
12
Aromatic rings
4
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_cis_18
Tranylcypromine_derv_cis_18
Property
Value
Molecule Weight
431.53
Acceptor count
6
Donor count
3
XLOGP
4.12
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
-
20415477
Tranylcypromine_derv_trans_20_trans
Tranylcypromine_derv_trans_20_trans
Property
Value
Molecule Weight
508.41
Acceptor count
6
Donor count
3
XLOGP
4.55
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Tranylcypromine_derv_trans_23_trans
Tranylcypromine_derv_trans_23_trans
Property
Value
Molecule Weight
319.4
Acceptor count
6
Donor count
4
XLOGP
1.89
Rotatable bond
13
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
Inhibits the enzyme
20415477
Triazole_dithiocarbamate_hybrid_22
Triazole_dithiocarbamate_hybrid_22
Property
Value
Molecule Weight
451.59
Acceptor count
5
Donor count
0
XLOGP
0
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
49.1
-
-
-
24131029
Triazole_dithiocarbamate_hybrid_26
Triazole_dithiocarbamate_hybrid_26
Property
Value
Molecule Weight
447.63
Acceptor count
4
Donor count
0
XLOGP
0
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
36.6
-
-
-
24131029
KDM2A
KDM2A
Click to Expand
total 38 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Tranylcypromine_derivative_1
Tranylcypromine_derivative_1
Property
Value
Molecule Weight
374.4
Acceptor count
5
Donor count
3
XLOGP
0.81
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.22
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_2
Tranylcypromine_derivative_2
Property
Value
Molecule Weight
388.43
Acceptor count
5
Donor count
2
XLOGP
1.14
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
12.2
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_3
Tranylcypromine_derivative_3
Property
Value
Molecule Weight
319.36
Acceptor count
4
Donor count
3
XLOGP
2.14
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
7.8
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_4
Tranylcypromine_derivative_4
Property
Value
Molecule Weight
404.47
Acceptor count
6
Donor count
4
XLOGP
1.85
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
12
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_5
Tranylcypromine_derivative_5
Property
Value
Molecule Weight
418.5
Acceptor count
6
Donor count
4
XLOGP
2.3
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
8.2
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_6
Tranylcypromine_derivative_6
Property
Value
Molecule Weight
432.52
Acceptor count
6
Donor count
4
XLOGP
2.75
Rotatable bond
13
Aromatic rings
3
Download 2D Structure
Download 3D Structure
12
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_7
Tranylcypromine_derivative_7
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_8
Tranylcypromine_derivative_8
Property
Value
Molecule Weight
258.23
Acceptor count
4
Donor count
1
XLOGP
0.28
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.8
-
-
Binds to FBXL11 domain of KDM2
24325601
Tranylcypromine_derivative_9
Tranylcypromine_derivative_9
Property
Value
Molecule Weight
189.17
Acceptor count
3
Donor count
2
XLOGP
1.28
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15
-
-
Binds to FBXL11 domain of KDM2
24325601
Daminozide_analogue_22
Daminozide_analogue_22
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
1
XLOGP
0
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
63
-
-
-
22724510
Daminozide_analogue_23
Daminozide_analogue_23
Property
Value
Molecule Weight
146.15
Acceptor count
5
Donor count
3
XLOGP
-1.17
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.37
-
-
-
22724510
Daminozide_analogue_24
Daminozide_analogue_24
Property
Value
Molecule Weight
132.12
Acceptor count
5
Donor count
3
XLOGP
-1.47
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.25
-
-
-
22724510
Daminozide_analogue_25
Daminozide_analogue_25
Property
Value
Molecule Weight
133.1
Acceptor count
5
Donor count
3
XLOGP
-0.77
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.43
-
-
-
22724510
Daminozide_analogue_26
Daminozide_analogue_26
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
1
XLOGP
-0.85
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
3.7
-
-
-
22724510
Daminozide_analogue_27
Daminozide_analogue_27
Property
Value
Molecule Weight
159.19
Acceptor count
4
Donor count
2
XLOGP
0.09
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_28
Daminozide_analogue_28
Property
Value
Molecule Weight
158.15
Acceptor count
4
Donor count
1
XLOGP
-0.63
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.57
-
-
-
22724510
Daminozide_analogue_29
Daminozide_analogue_29
Property
Value
Molecule Weight
161.16
Acceptor count
5
Donor count
1
XLOGP
-0.76
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
9.1
-
-
-
22724510
Daminozide_analogue_30
Daminozide_analogue_30
Property
Value
Molecule Weight
202.26
Acceptor count
6
Donor count
2
XLOGP
-1.38
Rotatable bond
11
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_31
Daminozide_analogue_31
Property
Value
Molecule Weight
208.22
Acceptor count
5
Donor count
3
XLOGP
2.02
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
19
-
-
-
22724510
Daminozide_analogue_32
Daminozide_analogue_32
Property
Value
Molecule Weight
200.24
Acceptor count
4
Donor count
2
XLOGP
-0.06
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
Daminozide_analogue_33
Daminozide_analogue_33
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
2
XLOGP
-0.58
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
29
-
-
-
22724510
Daminozide_analogue_34
Daminozide_analogue_34
Property
Value
Molecule Weight
250.3
Acceptor count
5
Donor count
2
XLOGP
0.84
Rotatable bond
10
Aromatic rings
1
Download 2D Structure
Download 3D Structure
21
-
-
-
22724510
Daminozide_analogue_35
Daminozide_analogue_35
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
2
XLOGP
-0.54
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
Daminozide_analogue_36
Daminozide_analogue_36
Property
Value
Molecule Weight
158.16
Acceptor count
5
Donor count
2
XLOGP
-0.63
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
Daminozide_analogue_37
Daminozide_analogue_37
Property
Value
Molecule Weight
158.16
Acceptor count
5
Donor count
2
XLOGP
-0.63
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
Daminozide_analogue_38
Daminozide_analogue_38
Property
Value
Molecule Weight
134.09
Acceptor count
6
Donor count
4
XLOGP
-1.26
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
Daminozide_analogue_39
Daminozide_analogue_39
Property
Value
Molecule Weight
250.3
Acceptor count
5
Donor count
1
XLOGP
0.88
Rotatable bond
10
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
Daminozide_analogue_40
Daminozide_analogue_40
Property
Value
Molecule Weight
216.28
Acceptor count
5
Donor count
1
XLOGP
0.66
Rotatable bond
12
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22724510
hydroxamate_derived_11
hydroxamate_derived_11
Property
Value
Molecule Weight
160.17
Acceptor count
5
Donor count
2
XLOGP
-0.99
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.5
-
-
-
23964788
hydroxamate_derived_12
hydroxamate_derived_12
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
2
XLOGP
3.65
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
8.1
-
-
-
23964788
hydroxamate_derived_1
hydroxamate_derived_1
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
1
XLOGP
3.53
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
ND
-
-
-
23964788
hydroxamate_derived_2
hydroxamate_derived_2
Property
Value
Molecule Weight
259.35
Acceptor count
5
Donor count
2
XLOGP
2.93
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
9.6
-
-
-
23964788
hydroxamate_derived_3
hydroxamate_derived_3
Property
Value
Molecule Weight
285.38
Acceptor count
5
Donor count
2
XLOGP
3.3
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
6.8
-
-
-
23964788
hydroxamate_derived_4
hydroxamate_derived_4
Property
Value
Molecule Weight
313.44
Acceptor count
5
Donor count
2
XLOGP
4.2
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
16
-
-
-
23964788
hydroxamate_derived_5
hydroxamate_derived_5
Property
Value
Molecule Weight
327.46
Acceptor count
5
Donor count
2
XLOGP
4.65
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
8
-
-
-
23964788
hydroxamate_derived_6
hydroxamate_derived_6
Property
Value
Molecule Weight
341.49
Acceptor count
5
Donor count
2
XLOGP
5.1
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
15
-
-
-
23964788
hydroxamate_derived_7
hydroxamate_derived_7
Property
Value
Molecule Weight
321.42
Acceptor count
5
Donor count
2
XLOGP
3.89
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2.9
-
-
-
23964788
Pyridiny_pyrimidine_derivative2_51
Pyridiny_pyrimidine_derivative2_51
Property
Value
Molecule Weight
187.2
Acceptor count
5
Donor count
2
XLOGP
0.15
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.2
-
-
-
24300735
KDM3A
KDM3A
Click to Expand
total 24 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
2_oxoglutarate_analogue_3
2_oxoglutarate_analogue_3
Property
Value
Molecule Weight
280.67
Acceptor count
5
Donor count
3
XLOGP
1.84
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
23683440
2_oxoglutarate_analogue_4
2_oxoglutarate_analogue_4
Property
Value
Molecule Weight
276.25
Acceptor count
6
Donor count
3
XLOGP
0.47
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_6
2_oxoglutarate_analogue_6
Property
Value
Molecule Weight
352.35
Acceptor count
6
Donor count
3
XLOGP
2.19
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
81 % at 100 µM
-
-
23683440
2_oxoglutarate_analogue_7
2_oxoglutarate_analogue_7
Property
Value
Molecule Weight
302.29
Acceptor count
6
Donor count
3
XLOGP
1.03
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_8
2_oxoglutarate_analogue_8
Property
Value
Molecule Weight
360.41
Acceptor count
6
Donor count
3
XLOGP
3.13
Rotatable bond
13
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_9
2_oxoglutarate_analogue_9
Property
Value
Molecule Weight
431.24
Acceptor count
6
Donor count
3
XLOGP
2.99
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
Tranylcypromine_derivative_1
Tranylcypromine_derivative_1
Property
Value
Molecule Weight
374.4
Acceptor count
5
Donor count
3
XLOGP
0.81
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.14
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_2
Tranylcypromine_derivative_2
Property
Value
Molecule Weight
388.43
Acceptor count
5
Donor count
2
XLOGP
1.14
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
37
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_3
Tranylcypromine_derivative_3
Property
Value
Molecule Weight
319.36
Acceptor count
4
Donor count
3
XLOGP
2.14
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
31
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_4
Tranylcypromine_derivative_4
Property
Value
Molecule Weight
404.47
Acceptor count
6
Donor count
4
XLOGP
1.85
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
12
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_5
Tranylcypromine_derivative_5
Property
Value
Molecule Weight
418.5
Acceptor count
6
Donor count
4
XLOGP
2.3
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
9.7
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_6
Tranylcypromine_derivative_6
Property
Value
Molecule Weight
432.52
Acceptor count
6
Donor count
4
XLOGP
2.75
Rotatable bond
13
Aromatic rings
3
Download 2D Structure
Download 3D Structure
9.1
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_7
Tranylcypromine_derivative_7
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_8
Tranylcypromine_derivative_8
Property
Value
Molecule Weight
258.23
Acceptor count
4
Donor count
1
XLOGP
0.28
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.1
-
-
Binds to JMJD1 domain of KDM3
24325601
Tranylcypromine_derivative_9
Tranylcypromine_derivative_9
Property
Value
Molecule Weight
189.17
Acceptor count
3
Donor count
2
XLOGP
1.28
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.17
-
-
Binds to JMJD1 domain of KDM3
24325601
Daminozide_analogue_22
Daminozide_analogue_22
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
1
XLOGP
0
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_23
Daminozide_analogue_23
Property
Value
Molecule Weight
146.15
Acceptor count
5
Donor count
3
XLOGP
-1.17
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_24
Daminozide_analogue_24
Property
Value
Molecule Weight
132.12
Acceptor count
5
Donor count
3
XLOGP
-1.47
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_25
Daminozide_analogue_25
Property
Value
Molecule Weight
133.1
Acceptor count
5
Donor count
3
XLOGP
-0.77
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
3
-
-
-
22724510
Daminozide_analogue_26
Daminozide_analogue_26
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
1
XLOGP
-0.85
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_27
Daminozide_analogue_27
Property
Value
Molecule Weight
159.19
Acceptor count
4
Donor count
2
XLOGP
0.09
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_28
Daminozide_analogue_28
Property
Value
Molecule Weight
158.15
Acceptor count
4
Donor count
1
XLOGP
-0.63
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
12.7
-
-
-
22724510
Daminozide_analogue_29
Daminozide_analogue_29
Property
Value
Molecule Weight
161.16
Acceptor count
5
Donor count
1
XLOGP
-0.76
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_30
Daminozide_analogue_30
Property
Value
Molecule Weight
202.26
Acceptor count
6
Donor count
2
XLOGP
-1.38
Rotatable bond
11
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
KDM4A
KDM4A
Click to Expand
total 46 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
N_oxalyl_D_tyrosine_der_7f
N_oxalyl_D_tyrosine_der_7f
Property
Value
Molecule Weight
472.27
Acceptor count
10
Donor count
3
XLOGP
3.51
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
12
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_7c
N_oxalyl_D_tyrosine_der_7c
Property
Value
Molecule Weight
449.48
Acceptor count
10
Donor count
3
XLOGP
4.78
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
13
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_7e
N_oxalyl_D_tyrosine_der_7e
Property
Value
Molecule Weight
411.36
Acceptor count
11
Donor count
3
XLOGP
2.81
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_10k
N_oxalyl_D_tyrosine_der_10k
Property
Value
Molecule Weight
388.33
Acceptor count
10
Donor count
3
XLOGP
1.84
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
14
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_7d
N_oxalyl_D_tyrosine_der_7d
Property
Value
Molecule Weight
393.37
Acceptor count
10
Donor count
3
XLOGP
2.71
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
17
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_8m
N_oxalyl_D_tyrosine_der_8m
Property
Value
Molecule Weight
440.45
Acceptor count
8
Donor count
3
XLOGP
2.14
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
13
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_10e
N_oxalyl_D_tyrosine_der_10e
Property
Value
Molecule Weight
361.33
Acceptor count
8
Donor count
3
XLOGP
2.07
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_10a
N_oxalyl_D_tyrosine_der_10a
Property
Value
Molecule Weight
343.34
Acceptor count
7
Donor count
3
XLOGP
1.97
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
33
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_7i
N_oxalyl_D_tyrosine_der_7i
Property
Value
Molecule Weight
412.38
Acceptor count
10
Donor count
3
XLOGP
1.53
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_8b
N_oxalyl_D_tyrosine_der_8b
Property
Value
Molecule Weight
351.36
Acceptor count
8
Donor count
3
XLOGP
1.7
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
IC50 determined by MALDI
20088513
N_oxalyl_D_tyrosine_der_9h
N_oxalyl_D_tyrosine_der_9h
Property
Value
Molecule Weight
440.41
Acceptor count
9
Donor count
3
XLOGP
1.32
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
IC50 determined by MALDI
20088513
2_oxoglutarate_analogue_3
2_oxoglutarate_analogue_3
Property
Value
Molecule Weight
280.67
Acceptor count
5
Donor count
3
XLOGP
1.84
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
23683440
2_oxoglutarate_analogue_4
2_oxoglutarate_analogue_4
Property
Value
Molecule Weight
276.25
Acceptor count
6
Donor count
3
XLOGP
0.47
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_6
2_oxoglutarate_analogue_6
Property
Value
Molecule Weight
352.35
Acceptor count
6
Donor count
3
XLOGP
2.19
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_7
2_oxoglutarate_analogue_7
Property
Value
Molecule Weight
302.29
Acceptor count
6
Donor count
3
XLOGP
1.03
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_8
2_oxoglutarate_analogue_8
Property
Value
Molecule Weight
360.41
Acceptor count
6
Donor count
3
XLOGP
3.13
Rotatable bond
13
Aromatic rings
1
Download 2D Structure
Download 3D Structure
43
-
-
-
23683440
2_oxoglutarate_analogue_9
2_oxoglutarate_analogue_9
Property
Value
Molecule Weight
431.24
Acceptor count
6
Donor count
3
XLOGP
2.99
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
23683440
Tripartin
Tripartin
Property
Value
Molecule Weight
263.08
Acceptor count
4
Donor count
3
XLOGP
1.85
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
23550720
hydroxamate_derived_11
hydroxamate_derived_11
Property
Value
Molecule Weight
160.17
Acceptor count
5
Donor count
2
XLOGP
-0.99
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
3300
-
-
-
23964788
hydroxamate_derived_12
hydroxamate_derived_12
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
2
XLOGP
3.65
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
92
-
-
-
23964788
hydroxamate_derived_1
hydroxamate_derived_1
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
1
XLOGP
3.53
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
120
-
-
-
23964788
hydroxamate_derived_2
hydroxamate_derived_2
Property
Value
Molecule Weight
259.35
Acceptor count
5
Donor count
2
XLOGP
2.93
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_3
hydroxamate_derived_3
Property
Value
Molecule Weight
285.38
Acceptor count
5
Donor count
2
XLOGP
3.3
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
120
-
-
-
23964788
hydroxamate_derived_4
hydroxamate_derived_4
Property
Value
Molecule Weight
313.44
Acceptor count
5
Donor count
2
XLOGP
4.2
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
120
-
-
-
23964788
hydroxamate_derived_5
hydroxamate_derived_5
Property
Value
Molecule Weight
327.46
Acceptor count
5
Donor count
2
XLOGP
4.65
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
120
-
-
-
23964788
hydroxamate_derived_6
hydroxamate_derived_6
Property
Value
Molecule Weight
341.49
Acceptor count
5
Donor count
2
XLOGP
5.1
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
99
-
-
-
23964788
hydroxamate_derived_7
hydroxamate_derived_7
Property
Value
Molecule Weight
321.42
Acceptor count
5
Donor count
2
XLOGP
3.89
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
65
-
-
-
23964788
hydroxamate_derived_8
hydroxamate_derived_8
Property
Value
Molecule Weight
147.09
Acceptor count
6
Donor count
3
XLOGP
-1.64
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
250
-
-
-
23964788
hydroxamate_derived_9
hydroxamate_derived_9
Property
Value
Molecule Weight
167.12
Acceptor count
4
Donor count
2
XLOGP
-0.29
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
4.2
-
-
-
23964788
hydroxamate_derived_10
hydroxamate_derived_10
Property
Value
Molecule Weight
272.39
Acceptor count
5
Donor count
2
XLOGP
1.77
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.8
-
-
-
23964788
SHSMSNRAPSALVRIGGG
SHSMSNRAPSALVRIGGG
Property
Value
Molecule Weight
1797.03
Acceptor count
49
Donor count
30
XLOGP
-11.59
Rotatable bond
95
Aromatic rings
1
Download 2D Structure
Download 3D Structure
3.4
-
-
-
25014588
Hydroxamate_analogue_1
Hydroxamate_analogue_1
Property
Value
Molecule Weight
167.12
Acceptor count
4
Donor count
2
XLOGP
-0.29
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
4.2
-
-
-
20684604
Hydroxamate_analogue_2
Hydroxamate_analogue_2
Property
Value
Molecule Weight
147.09
Acceptor count
6
Donor count
3
XLOGP
-1.64
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
250
-
-
-
20684604
Hydroxamate_analogue_4
Hydroxamate_analogue_4
Property
Value
Molecule Weight
147.13
Acceptor count
5
Donor count
2
XLOGP
-0.64
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
14
-
-
-
20684604
Hydroxamate_analogue_5
Hydroxamate_analogue_5
Property
Value
Molecule Weight
246.31
Acceptor count
6
Donor count
2
XLOGP
0.61
Rotatable bond
14
Aromatic rings
0
Download 2D Structure
Download 3D Structure
17
-
-
-
20684604
Hydroxamate_analogue_6
Hydroxamate_analogue_6
Property
Value
Molecule Weight
260.33
Acceptor count
6
Donor count
2
XLOGP
1.06
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
8.7
-
-
-
20684604
Hydroxamate_analogue_7
Hydroxamate_analogue_7
Property
Value
Molecule Weight
274.36
Acceptor count
6
Donor count
2
XLOGP
1.51
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
6
-
-
-
20684604
Hydroxamate_analogue_8
Hydroxamate_analogue_8
Property
Value
Molecule Weight
288.39
Acceptor count
6
Donor count
2
XLOGP
1.96
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
3
-
-
-
20684604
Hydroxamate_analogue_9
Hydroxamate_analogue_9
Property
Value
Molecule Weight
302.41
Acceptor count
6
Donor count
2
XLOGP
2.41
Rotatable bond
18
Aromatic rings
0
Download 2D Structure
Download 3D Structure
5.5
-
-
-
20684604
Hydroxamate_analogue_10
Hydroxamate_analogue_10
Property
Value
Molecule Weight
316.44
Acceptor count
6
Donor count
2
XLOGP
2.86
Rotatable bond
19
Aromatic rings
0
Download 2D Structure
Download 3D Structure
11
-
-
-
20684604
Hydroxamate_analogue_11
Hydroxamate_analogue_11
Property
Value
Molecule Weight
330.47
Acceptor count
6
Donor count
2
XLOGP
3.31
Rotatable bond
20
Aromatic rings
0
Download 2D Structure
Download 3D Structure
22
-
-
-
20684604
Hydroxamate_analogue_12
Hydroxamate_analogue_12
Property
Value
Molecule Weight
245.32
Acceptor count
5
Donor count
2
XLOGP
2.3
Rotatable bond
14
Aromatic rings
0
Download 2D Structure
Download 3D Structure
120
-
-
-
20684604
Hydroxamate_analogue_13
Hydroxamate_analogue_13
Property
Value
Molecule Weight
288.39
Acceptor count
6
Donor count
2
XLOGP
1.96
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
8.1
-
-
-
20684604
Hydroxamate_analogue_14
Hydroxamate_analogue_14
Property
Value
Molecule Weight
330.47
Acceptor count
6
Donor count
2
XLOGP
3.27
Rotatable bond
20
Aromatic rings
0
Download 2D Structure
Download 3D Structure
3.2
-
-
-
20684604
Hydroxamate_analogue_15
Hydroxamate_analogue_15
Property
Value
Molecule Weight
364.49
Acceptor count
6
Donor count
2
XLOGP
3.69
Rotatable bond
18
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2
-
-
-
20684604
Hydroxamate_analogue_16
Hydroxamate_analogue_16
Property
Value
Molecule Weight
274.36
Acceptor count
6
Donor count
3
XLOGP
1.65
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
4.4
-
-
-
20684604
KDM4C
KDM4C
Click to Expand
total 72 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
2_oxoglutarate_analogue_3
2_oxoglutarate_analogue_3
Property
Value
Molecule Weight
280.67
Acceptor count
5
Donor count
3
XLOGP
1.84
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
23683440
2_oxoglutarate_analogue_4
2_oxoglutarate_analogue_4
Property
Value
Molecule Weight
276.25
Acceptor count
6
Donor count
3
XLOGP
0.47
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_6
2_oxoglutarate_analogue_6
Property
Value
Molecule Weight
352.35
Acceptor count
6
Donor count
3
XLOGP
2.19
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_7
2_oxoglutarate_analogue_7
Property
Value
Molecule Weight
302.29
Acceptor count
6
Donor count
3
XLOGP
1.03
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_8
2_oxoglutarate_analogue_8
Property
Value
Molecule Weight
360.41
Acceptor count
6
Donor count
3
XLOGP
3.13
Rotatable bond
13
Aromatic rings
1
Download 2D Structure
Download 3D Structure
86
-
-
-
23683440
2_oxoglutarate_analogue_9
2_oxoglutarate_analogue_9
Property
Value
Molecule Weight
431.24
Acceptor count
6
Donor count
3
XLOGP
2.99
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
93
-
-
-
23683440
NCDM_32
NCDM_32
Property
Value
Molecule Weight
288.39
Acceptor count
6
Donor count
2
XLOGP
1.96
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1
-
-
-
20684204
Hydroxamate_analogue_1
Hydroxamate_analogue_1
Property
Value
Molecule Weight
167.12
Acceptor count
4
Donor count
2
XLOGP
-0.29
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
9.4
-
-
-
20684604
Hydroxamate_analogue_2
Hydroxamate_analogue_2
Property
Value
Molecule Weight
147.09
Acceptor count
6
Donor count
3
XLOGP
-1.64
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
500
-
-
-
20684604
Hydroxamate_analogue_4
Hydroxamate_analogue_4
Property
Value
Molecule Weight
147.13
Acceptor count
5
Donor count
2
XLOGP
-0.64
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
34
-
-
-
20684604
Hydroxamate_analogue_5
Hydroxamate_analogue_5
Property
Value
Molecule Weight
246.31
Acceptor count
6
Donor count
2
XLOGP
0.61
Rotatable bond
14
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
20684604
Hydroxamate_analogue_6
Hydroxamate_analogue_6
Property
Value
Molecule Weight
260.33
Acceptor count
6
Donor count
2
XLOGP
1.06
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.7
-
-
-
20684604
Hydroxamate_analogue_7
Hydroxamate_analogue_7
Property
Value
Molecule Weight
274.36
Acceptor count
6
Donor count
2
XLOGP
1.51
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.5
-
-
-
20684604
Hydroxamate_analogue_8
Hydroxamate_analogue_8
Property
Value
Molecule Weight
288.39
Acceptor count
6
Donor count
2
XLOGP
1.96
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1
-
-
-
20684604
Hydroxamate_analogue_9
Hydroxamate_analogue_9
Property
Value
Molecule Weight
302.41
Acceptor count
6
Donor count
2
XLOGP
2.41
Rotatable bond
18
Aromatic rings
0
Download 2D Structure
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1.6
-
-
-
20684604
Hydroxamate_analogue_10
Hydroxamate_analogue_10
Property
Value
Molecule Weight
316.44
Acceptor count
6
Donor count
2
XLOGP
2.86
Rotatable bond
19
Aromatic rings
0
Download 2D Structure
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5.2
-
-
-
20684604
Hydroxamate_analogue_11
Hydroxamate_analogue_11
Property
Value
Molecule Weight
330.47
Acceptor count
6
Donor count
2
XLOGP
3.31
Rotatable bond
20
Aromatic rings
0
Download 2D Structure
Download 3D Structure
8.8
-
-
-
20684604
Hydroxamate_analogue_12
Hydroxamate_analogue_12
Property
Value
Molecule Weight
245.32
Acceptor count
5
Donor count
2
XLOGP
2.3
Rotatable bond
14
Aromatic rings
0
Download 2D Structure
Download 3D Structure
74
-
-
-
20684604
Hydroxamate_analogue_13
Hydroxamate_analogue_13
Property
Value
Molecule Weight
288.39
Acceptor count
6
Donor count
2
XLOGP
1.96
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2
-
-
-
20684604
Hydroxamate_analogue_14
Hydroxamate_analogue_14
Property
Value
Molecule Weight
330.47
Acceptor count
6
Donor count
2
XLOGP
3.27
Rotatable bond
20
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.5
-
-
-
20684604
Hydroxamate_analogue_15
Hydroxamate_analogue_15
Property
Value
Molecule Weight
364.49
Acceptor count
6
Donor count
2
XLOGP
3.69
Rotatable bond
18
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1.3
-
-
-
20684604
Hydroxamate_analogue_16
Hydroxamate_analogue_16
Property
Value
Molecule Weight
274.36
Acceptor count
6
Donor count
3
XLOGP
1.65
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.7
-
-
-
20684604
Hydroxypyrazole_derivative_1
Hydroxypyrazole_derivative_1
Property
Value
Molecule Weight
202.21
Acceptor count
2
Donor count
1
XLOGP
2.5
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
411
-
-
-
22917519
Hydroxypyrazole_derivative_2
Hydroxypyrazole_derivative_2
Property
Value
Molecule Weight
200.15
Acceptor count
5
Donor count
2
XLOGP
0.67
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
147
-
-
-
22917519
Hydroxypyrazole_derivative_3
Hydroxypyrazole_derivative_3
Property
Value
Molecule Weight
156.1
Acceptor count
4
Donor count
3
XLOGP
-0.23
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Hydroxypyrazole_derivative_4
Hydroxypyrazole_derivative_4
Property
Value
Molecule Weight
157.09
Acceptor count
5
Donor count
2
XLOGP
0.44
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Hydroxypyrazole_derivative_5
Hydroxypyrazole_derivative_5
Property
Value
Molecule Weight
140.14
Acceptor count
2
Donor count
1
XLOGP
0.49
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Hydroxypyrazole_derivative_6
Hydroxypyrazole_derivative_6
Property
Value
Molecule Weight
189.17
Acceptor count
3
Donor count
0
XLOGP
2.25
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Hydroxypyrazole_derivative_7
Hydroxypyrazole_derivative_7
Property
Value
Molecule Weight
112.09
Acceptor count
2
Donor count
2
XLOGP
0.16
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Hydroxypyrazole_derivative_8
Hydroxypyrazole_derivative_8
Property
Value
Molecule Weight
292.34
Acceptor count
2
Donor count
1
XLOGP
4.58
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Hydroxypyrazole_derivative_9
Hydroxypyrazole_derivative_9
Property
Value
Molecule Weight
278.31
Acceptor count
2
Donor count
1
XLOGP
4.3
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
22917519
Tranylcypromine_derivative_1
Tranylcypromine_derivative_1
Property
Value
Molecule Weight
374.4
Acceptor count
5
Donor count
3
XLOGP
0.81
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
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0.07 | 0.42
-
-
-
24325601
Tranylcypromine_derivative_2
Tranylcypromine_derivative_2
Property
Value
Molecule Weight
388.43
Acceptor count
5
Donor count
2
XLOGP
1.14
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
2.7 | 16
-
-
-
24325601
Tranylcypromine_derivative_3
Tranylcypromine_derivative_3
Property
Value
Molecule Weight
319.36
Acceptor count
4
Donor count
3
XLOGP
2.14
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
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1.2 | 3.9
-
-
-
24325601
Tranylcypromine_derivative_4
Tranylcypromine_derivative_4
Property
Value
Molecule Weight
404.47
Acceptor count
6
Donor count
4
XLOGP
1.85
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
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4.5 | 5.5
-
-
-
24325601
Tranylcypromine_derivative_5
Tranylcypromine_derivative_5
Property
Value
Molecule Weight
418.5
Acceptor count
6
Donor count
4
XLOGP
2.3
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
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3.1 | 3.5
-
-
-
24325601
Tranylcypromine_derivative_6
Tranylcypromine_derivative_6
Property
Value
Molecule Weight
432.52
Acceptor count
6
Donor count
4
XLOGP
2.75
Rotatable bond
13
Aromatic rings
3
Download 2D Structure
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2.5 | 5.1
-
-
-
24325601
Tranylcypromine_derivative_7
Tranylcypromine_derivative_7
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100 |100
-
-
-
24325601
Tranylcypromine_derivative_8
Tranylcypromine_derivative_8
Property
Value
Molecule Weight
258.23
Acceptor count
4
Donor count
1
XLOGP
0.28
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.5 | 5
-
-
-
24325601
Tranylcypromine_derivative_9
Tranylcypromine_derivative_9
Property
Value
Molecule Weight
189.17
Acceptor count
3
Donor count
2
XLOGP
1.28
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
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0.6 | 0.3
-
-
-
24325601
hydroxamate_derived_11
hydroxamate_derived_11
Property
Value
Molecule Weight
160.17
Acceptor count
5
Donor count
2
XLOGP
-0.99
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2500
-
-
-
23964788
hydroxamate_derived_12
hydroxamate_derived_12
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
2
XLOGP
3.65
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
55
-
-
-
23964788
hydroxamate_derived_1
hydroxamate_derived_1
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
1
XLOGP
3.53
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
110
-
-
-
23964788
hydroxamate_derived_2
hydroxamate_derived_2
Property
Value
Molecule Weight
259.35
Acceptor count
5
Donor count
2
XLOGP
2.93
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
32
-
-
-
23964788
hydroxamate_derived_3
hydroxamate_derived_3
Property
Value
Molecule Weight
285.38
Acceptor count
5
Donor count
2
XLOGP
3.3
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
83
-
-
-
23964788
hydroxamate_derived_4
hydroxamate_derived_4
Property
Value
Molecule Weight
313.44
Acceptor count
5
Donor count
2
XLOGP
4.2
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
78
-
-
-
23964788
hydroxamate_derived_5
hydroxamate_derived_5
Property
Value
Molecule Weight
327.46
Acceptor count
5
Donor count
2
XLOGP
4.65
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
81
-
-
-
23964788
hydroxamate_derived_6
hydroxamate_derived_6
Property
Value
Molecule Weight
341.49
Acceptor count
5
Donor count
2
XLOGP
5.1
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
120
-
-
-
23964788
hydroxamate_derived_7
hydroxamate_derived_7
Property
Value
Molecule Weight
321.42
Acceptor count
5
Donor count
2
XLOGP
3.89
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
22
-
-
-
23964788
hydroxamate_derived_8
hydroxamate_derived_8
Property
Value
Molecule Weight
147.09
Acceptor count
6
Donor count
3
XLOGP
-1.64
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
430
-
-
-
23964788
hydroxamate_derived_9
hydroxamate_derived_9
Property
Value
Molecule Weight
167.12
Acceptor count
4
Donor count
2
XLOGP
-0.29
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.2
-
-
-
23964788
hydroxamate_derived_10
hydroxamate_derived_10
Property
Value
Molecule Weight
272.39
Acceptor count
5
Donor count
2
XLOGP
1.77
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.2
-
-
-
23964788
Ac_ACYTRNMNQCGGG
Ac_ACYTRNMNQCGGG
Property
Value
Molecule Weight
1187.35
Acceptor count
35
Donor count
18
XLOGP
-7.79
Rotatable bond
59
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMAAGYCGGG
ACKWMAAGYCGGG
Property
Value
Molecule Weight
1274.51
Acceptor count
32
Donor count
17
XLOGP
-4.03
Rotatable bond
60
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMADGYC
ACKWMADGYC
Property
Value
Molecule Weight
1147.37
Acceptor count
28
Donor count
15
XLOGP
-2.44
Rotatable bond
53
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMADGYCGGG
ACKWMADGYCGGG
Property
Value
Molecule Weight
1318.52
Acceptor count
34
Donor count
18
XLOGP
-4.95
Rotatable bond
62
Aromatic rings
3
Download 2D Structure
Download 3D Structure
8.5
-
-
-
25014588
ACKWMDAGYCGGG
ACKWMDAGYCGGG
Property
Value
Molecule Weight
1318.52
Acceptor count
34
Donor count
18
XLOGP
-4.95
Rotatable bond
62
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMDDGYCGGG
ACKWMDDGYCGGG
Property
Value
Molecule Weight
1362.53
Acceptor count
36
Donor count
19
XLOGP
-5.88
Rotatable bond
64
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMDDGYCGGG
ACKWMDDGYCGGG
Property
Value
Molecule Weight
1362.53
Acceptor count
36
Donor count
19
XLOGP
-5.88
Rotatable bond
64
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMDEGYCGGG
ACKWMDEGYCGGG
Property
Value
Molecule Weight
1376.56
Acceptor count
36
Donor count
19
XLOGP
-5.43
Rotatable bond
65
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMEDGYCGGG
ACKWMEDGYCGGG
Property
Value
Molecule Weight
1376.56
Acceptor count
36
Donor count
19
XLOGP
-5.43
Rotatable bond
65
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACKWMEEGYCGGG
ACKWMEEGYCGGG
Property
Value
Molecule Weight
1390.58
Acceptor count
36
Donor count
19
XLOGP
-4.98
Rotatable bond
66
Aromatic rings
3
Download 2D Structure
Download 3D Structure
520
-
-
-
25014588
ACYTRAMAQCGGG
ACYTRAMAQCGGG
Property
Value
Molecule Weight
1230.42
Acceptor count
36
Donor count
19
XLOGP
-7.89
Rotatable bond
62
Aromatic rings
1
Download 2D Structure
Download 3D Structure
97
-
-
-
25014588
ACYTRNMAQCGGG
ACYTRNMAQCGGG
Property
Value
Molecule Weight
1230.42
Acceptor count
36
Donor count
19
XLOGP
-7.89
Rotatable bond
62
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
ACYTRNMAQCGGGYGRKKRRQRRR
ACYTRNMAQCGGGYGRKKRRQRRR
Property
Value
Molecule Weight
2659.09
Acceptor count
78
Donor count
49
XLOGP
-15.55
Rotatable bond
141
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.6
-
-
-
25014588
ACYTRNMNQC
ACYTRNMNQC
Property
Value
Molecule Weight
1401.61
Acceptor count
41
Donor count
22
XLOGP
-9.88
Rotatable bond
72
Aromatic rings
1
Download 2D Structure
Download 3D Structure
406
-
-
-
25014588
ACYTRNMNQCGGG
ACYTRNMNQCGGG
Property
Value
Molecule Weight
1374.55
Acceptor count
41
Donor count
22
XLOGP
-9.99
Rotatable bond
70
Aromatic rings
1
Download 2D Structure
Download 3D Structure
52
-
-
-
25014588
ACYTRNMNQCGGG
ACYTRNMNQCGGG
Property
Value
Molecule Weight
1374.55
Acceptor count
41
Donor count
22
XLOGP
-9.99
Rotatable bond
70
Aromatic rings
1
Download 2D Structure
Download 3D Structure
52
-
-
-
25014588
CKWMADGYC
CKWMADGYC
Property
Value
Molecule Weight
1076.29
Acceptor count
26
Donor count
14
XLOGP
-2.11
Rotatable bond
49
Aromatic rings
3
Download 2D Structure
Download 3D Structure
76
-
-
-
25014588
CKWMADGYCGGG
CKWMADGYCGGG
Property
Value
Molecule Weight
1247.44
Acceptor count
32
Donor count
17
XLOGP
-4.62
Rotatable bond
58
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
CYTRNMNQCGGG
CYTRNMNQCGGG
Property
Value
Molecule Weight
1331.52
Acceptor count
39
Donor count
21
XLOGP
-8.83
Rotatable bond
68
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1000
-
-
-
25014588
meta_Xyl_ACYTRNMNQC
meta_Xyl_ACYTRNMNQC
Property
Value
Molecule Weight
1505.77
Acceptor count
41
Donor count
22
XLOGP
-7.34
Rotatable bond
75
Aromatic rings
2
Download 2D Structure
Download 3D Structure
16
-
-
-
25014588
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