Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02289258
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 |
238 | A | 2PRH | 0.71 |  | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.78 | |
BRF | A | 1UUO | 0.75 | | |
MR6 | 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE | A,B | 2QGE | 0.74 | |
TCR | CYCLOMETHYLTRYPTOPHAN | A | 3AIG | 0.72 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 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 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.75 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.75 | |
DPY | A,B | 1JES | 0.79 | | |
225 | FELODIPINE | A | 2NNJ | 0.72 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.72 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.78 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.75 | |
| QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.75 | |
| QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.75 | |
CLI | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID | A,F | 1LEV | 0.73 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.71 | |
| NTM | QUINOLINIC ACID | A,B | 1QAP | 0.71 | |
| NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.71 | |
| NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.71 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.7 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.8 | |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.74 | |
116 | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWJ | 0.71 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.75 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.73 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.74 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.74 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.74 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.74 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.74 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.74 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.74 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.71 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.72 | |
JTP | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.71 | |
V25 | ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate | A | 2VAG | 0.72 | |
205 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE- 6-CARBOXYLIC ACID | A,B | 2F8I | 0.71 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.73 | |
| BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.73 | |
| BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.73 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.72 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.71 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.71 | |
| IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.71 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.76 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.76 | |
| QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.76 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.76 | |
| QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.76 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.76 | |
MR4 | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL | A,B | 2QGC | 0.71 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.86 | |
3CS | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4- IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)- 1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,B,C,D,E,F | 2Q7R | 0.72 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.71 | |