Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00044326
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 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.74 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.72 | |
PT1 | PTEROIC ACID | A,B | 1TX0 | 0.73 | |
PT1 | PTEROIC ACID | A | 1BR6 | 0.73 | |
PT1 | PTEROIC ACID | A,B | 1HWP | 0.73 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.75 | |
BMS | A,B | 1DKF | 0.75 | ||
DTR | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1XY8 | 0.7 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.7 | |
DTR | D-TRYPTOPHAN | A | 2V7K | 0.7 | |
DTR | D-TRYPTOPHAN | A,D | 1CZQ | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1DFY | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1XY5 | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1NXN | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1TKF | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1YL9 | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1XXZ | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1XY4 | 0.7 | |
DTR | D-TRYPTOPHAN | A,D | 2Q3I | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1QFB | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1DFZ | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1XY9 | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1XY6 | 0.7 | |
DTR | D-TRYPTOPHAN | A | 2SOC | 0.7 | |
DTR | D-TRYPTOPHAN | A | 2JUE | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1SOC | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1YL8 | 0.7 | |
DTR | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.7 | |
DTR | D-TRYPTOPHAN | A,B | 2Q33 | 0.7 | |
DTR | D-TRYPTOPHAN | A | 1DG0 | 0.7 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.7 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.75 | |
4HG | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.75 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.71 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.7 | |
POO | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.72 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBT | 0.71 | |
UN9 | N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2HBU | 0.71 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.71 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.71 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.78 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.78 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.78 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.84 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.84 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.82 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.82 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.82 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.82 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.76 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.76 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.8 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.8 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.8 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.8 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.8 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.8 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.82 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.82 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.82 | |
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 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.72 | |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.75 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.84 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.84 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.84 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.84 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.72 | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.73 | |
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 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.7 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.7 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.71 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.71 | |
DPY | A,B | 1JES | 0.71 | ||
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.74 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.72 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.72 | |
TTQ | 6-AMINO-7-HYDROXY-L-TRYPTOPHAN | D,H | 2I0S | 0.7 | |
TTQ | 6-AMINO-7-HYDROXY-L-TRYPTOPHAN | D,H | 2HXC | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2I0T | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | A,B,C,D,K,L, M,N | 2J57 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2OK4 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2IUR | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2AGW | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | A,B,H,L,M | 2J56 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2IUV | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2OK6 | 0.7 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.88 | |
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 | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.71 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.71 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1QPA | 0.7 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1B80 | 0.7 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A | 1ROV | 0.7 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.73 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.73 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.73 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 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 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.71 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.83 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.71 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.77 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.7 | |
238 | A | 2PRH | 0.72 | ||
BRF | A | 1UUO | 0.76 | ||
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.73 | |
APT | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.71 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.72 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.76 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.76 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.76 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.76 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.76 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.76 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.76 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.76 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.76 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.76 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.76 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.76 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.76 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.76 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.76 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.74 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.79 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.77 | |
4PP | C,L | 1XKA | 0.73 | ||
4PP | A,B,C,D | 1XKB | 0.73 | ||
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.77 |