Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01684816
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 |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.74 | |
BRF | A | 1UUO | 0.73 | ||
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.71 | |
BMS | A,B | 1DKF | 0.74 | ||
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.71 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.7 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.72 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.72 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 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 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.78 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.78 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.78 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.78 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.78 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.78 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.78 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.78 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.78 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.78 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.78 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.78 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.78 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.78 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.78 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.71 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.7 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.7 | |
24X | H,L | 2EC9 | 0.7 | ||
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.7 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.73 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.81 | |
4PP | C,L | 1XKA | 0.72 | ||
4PP | A,B,C,D | 1XKB | 0.72 | ||
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.75 | |
POO | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.71 | |
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 | 0.73 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.72 | |
BLP | (5-HYDROXY-6-METHYL-4-((2-(2-(2- NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 2GQN | 0.7 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.71 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.7 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.7 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.7 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.7 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.86 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.86 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.86 | |
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 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.76 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.76 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.71 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.77 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.77 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.77 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.77 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.7 |