Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02637481
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 |
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 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.77 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.77 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.77 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.77 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | ![]() |
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 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.71 | ![]() |
NHB![]() | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.7 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.7 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.7 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.77 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.77 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | ![]() |
ICO![]() | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.72 | ![]() |
M2C![]() | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.71 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.7 | ![]() |
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 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.73 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.73 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 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 | 0.76 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.7 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 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 | 0.73 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.72 | ![]() |
2SM![]() | methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate | A | 3EA4 | 0.75 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.72 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.72 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.72 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.72 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.72 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.72 | ![]() |