Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045170
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 |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.71 | ![]() |
FIC![]() | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.7 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.71 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.71 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.72 | ![]() |
OMN![]() | 4-BROMO-3-(5'-CARBOXY-4'-CHLORO- 2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL- PYRAZOL | A,B | 1SEZ | 0.72 | ![]() |
SU1![]() | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.7 | ![]() |
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 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.71 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.71 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.71 | ![]() |
PYB![]() | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.71 | ![]() |
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 | ![]() |
OAI![]() | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.75 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | ![]() |
ICO![]() | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.72 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.72 | ![]() |
2S2![]() | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.71 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.72 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.72 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.72 | ![]() |
5DE![]() | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.7 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.73 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.73 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.73 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.73 | ![]() |
4PP![]() | C,L | 1XKA | 0.72 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.72 | ![]() | |
AIZ![]() | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H- INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID | A | 2B1P | 0.71 | ![]() |
CRR![]() | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.7 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.75 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.75 | ![]() |
ZZA![]() | 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B,D | 2VCW | 0.81 | ![]() |
BMS![]() | A,B | 1DKF | 0.71 | ![]() | |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.71 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.71 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.7 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.7 | ![]() |
QND![]() | QUINALDIC ACID | A,B | 1IDA | 0.7 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.71 | ![]() |