Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00286311
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 |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.74 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.74 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.74 | |
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 | |
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 | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.78 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.78 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.78 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.73 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.73 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.73 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.73 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.73 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.73 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.73 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.73 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.73 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.73 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.73 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.73 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.73 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.73 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.73 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.73 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.8 | |
ARH | 3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE | A,B,C,D | 1H69 | 0.71 | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.73 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.76 | |
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 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.81 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.81 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.81 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.81 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.81 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.81 | |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.84 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.84 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.84 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.84 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.71 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.79 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.79 | |
E09 | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL- 2-[1H-INDOLE-4,7-DIONE]-PROPANOL | A,B,C,D | 1GG5 | 0.72 | |
DPY | A,B | 1JES | 0.78 | ||
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.78 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.78 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.78 | |
225 | FELODIPINE | A | 2NNJ | 0.71 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 |