Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02274068
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 | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 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 | |
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 | 0.78 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.71 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.74 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.74 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.74 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.74 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.74 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.74 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.74 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.74 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.74 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.74 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.74 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.74 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.74 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.74 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.74 | |
BMS | A,B | 1DKF | 0.74 | ||
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.73 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.73 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.88 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.88 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.88 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.7 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.72 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.72 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.76 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.72 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.75 | |
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 | 0.71 | |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.75 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.75 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.71 | |
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 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.75 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.71 | |
BRF | A | 1UUO | 0.76 | ||
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.73 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.71 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.77 | |
238 | A | 2PRH | 0.73 | ||
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.71 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.73 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.72 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.79 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.77 |