Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02119434
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 |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2J | 0.71 | |
7DE | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2K | 0.71 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.73 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.75 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.75 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.75 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.75 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.75 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.75 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.75 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.75 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.75 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.73 | |
5DE | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.73 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.73 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.73 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.72 | |
YSH | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]- 1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B | 1VDV | 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 | 0.75 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.76 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.76 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.76 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.76 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.71 | |
3DE | 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2C | 0.71 | |
6DE | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2H | 0.7 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.73 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.73 | |
LZD | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.71 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.72 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.71 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.7 | |
ZZA | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.82 | |
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 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.78 | |
LZA | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.72 |