Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01985233
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 |
BFU | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6- FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)- CYCLOPROPYL]-UREA | A | 1EET | 0.71 | |
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 | |
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 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.72 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.77 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.77 | |
PYU | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.88 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.71 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.74 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.74 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.74 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.74 | |
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 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.7 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.7 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.72 | |
SAS | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID | A,B | 13GS | 0.73 | |
R94 | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.76 | |
R96 | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH7 | 0.74 | |
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 | |
R55 | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN- 1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH8 | 0.74 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 3FHX | 0.71 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2DDW | 0.71 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9W | 0.71 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9X | 0.71 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 1TD2 | 0.71 | |
BDE | N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE | A,B,C,D,E,F | 2GLP | 0.77 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.71 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.76 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.72 | |
MSD | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY- PHENYL)-CYCLOPROPYL]-3-(5-CYANO- PYRIDIN-2-YL)-THIOUREA | A | 1IKY | 0.75 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.73 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.73 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A | 1XHA | 0.72 | |
R68 | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN- 2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN- 3-YL}ISONICOTINAMIDE | A,B | 1XH5 | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.71 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.71 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.71 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.71 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.71 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.71 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.71 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.71 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.71 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.7 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.71 |