Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02315588
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 |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.74 |  |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.74 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.74 | |
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 | 0.7 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.71 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.82 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.71 | |
225 | FELODIPINE | A | 2NNJ | 0.72 | |
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 | 0.71 | |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.73 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.78 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.74 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.74 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.74 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.74 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.7 | |
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 | |
116 | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWJ | 0.74 | |
238 | A | 2PRH | 0.78 | | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.71 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.74 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.7 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.7 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 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 | 0.71 | |
DPY | A,B | 1JES | 0.75 | | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.75 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.75 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.75 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.75 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.75 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.75 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.75 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.74 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.7 | |
| QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.7 | |
BRF | A | 1UUO | 0.82 | | |
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 | |
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 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.86 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.82 | |
| QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.82 | |
| QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.82 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.72 | |
| NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.72 | |
| NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.72 | |