Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02006127
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 |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.83 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.83 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.83 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.83 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.83 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.83 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.76 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.76 | ![]() |
HQU![]() | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.73 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 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 | 0.7 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.76 | ![]() |
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 | 0.73 | ![]() |
9AC![]() | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.71 | ![]() |
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 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.78 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.78 | ![]() |
DPY![]() | A,B | 1JES | 0.71 | ![]() | |
1IQ![]() | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.71 | ![]() |
VX3![]() | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.7 | ![]() |
QND![]() | QUINALDIC ACID | A,B | 1IDA | 0.81 | ![]() |
BRE![]() | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.79 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.78 | ![]() |
FIC![]() | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.71 | ![]() |
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 | ![]() |
8CA![]() | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.7 | ![]() |
NIX![]() | NALIDIXIC ACID | A,B | 2BQ2 | 0.7 | ![]() |
PY7![]() | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.79 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.71 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.71 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.71 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.71 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A | 1JLD | 0.71 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.71 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.72 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.72 | ![]() |
QUA![]() | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.8 | ![]() |
QUA![]() | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.8 | ![]() |
QUA![]() | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.8 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.71 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.71 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.71 | ![]() |
238![]() | A | 2PRH | 0.75 | ![]() | |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.82 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.82 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.82 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.82 | ![]() |
ICO![]() | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.71 | ![]() |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.72 | ![]() |
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 | ![]() |
BRF![]() | A | 1UUO | 0.79 | ![]() |