Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00689080
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
|---|---|---|---|---|---|
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.76 |  |
| INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.76 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.72 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.74 | |
| R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.74 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.73 | |
| 4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.73 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.71 | |
| DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | |
| HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.74 | |
| NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.74 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.74 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.73 | |
| NIO | NICOTINIC ACID | A | 1L5L | 0.73 | |
| NIO | NICOTINIC ACID | A | 2F7F | 0.73 | |
| NIO | NICOTINIC ACID | A | 1L5K | 0.73 | |
| NIO | NICOTINIC ACID | A | 1JHY | 0.73 | |
| NIO | NICOTINIC ACID | A,B | 1FSL | 0.73 | |
| NIO | NICOTINIC ACID | A | 1L5M | 0.73 | |
| NIO | NICOTINIC ACID | A | 1LH6 | 0.73 | |
| NIO | NICOTINIC ACID | A | 1JHO | 0.73 | |
| NIO | NICOTINIC ACID | A | 3CI8 | 0.73 | |
| NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.73 | |
| NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.73 | |
| NIO | NICOTINIC ACID | A | 1JHA | 0.73 | |
| NIO | NICOTINIC ACID | A | 1JHV | 0.73 | |
| NIO | NICOTINIC ACID | A | 1L4N | 0.73 | |
| NIO | NICOTINIC ACID | A | 2LH6 | 0.73 | |
| NIO | NICOTINIC ACID | A | 1D0V | 0.73 | |
| NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.73 | |
| NIO | NICOTINIC ACID | A,B | 1ICR | 0.73 | |
| NIO | NICOTINIC ACID | A | 1JHR | 0.73 | |
R96 | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH7 | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.72 | |
I08 | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.71 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A | 1XHA | 0.71 | |
| R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A,B | 1XH5 | 0.71 | |
BDE | N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE | A,B,C,D,E,F | 2GLP | 0.82 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.74 | |
P3F | PHOSPHORIC ACID MONO-(5-HYDROXY- 6-METHYL-4-{[2-(2-TRIFLUOROMETHYL- BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}- PYRIDIN-3-YLMETHYL)ESTER | A,B | 2FQ6 | 0.72 | |
PYU | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.75 | |
39Z | 5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE | A | 2PE0 | 0.72 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.73 | |
R94 | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.71 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.71 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.71 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.71 | |
R55 | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH8 | 0.72 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A,B | 2PSJ | 0.71 | |
| CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 2F8P | 0.71 | |
| CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 1S36 | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.7 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.7 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.71 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.7 | |