Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01120246
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 | 0.84 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.78 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.78 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.78 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.78 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.78 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.72 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.72 | |
M2C | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.78 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.78 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.78 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.78 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.78 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.78 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.78 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.78 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.78 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.78 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.78 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.78 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.78 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.78 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.78 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.78 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.75 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.75 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.75 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.75 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.84 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.84 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.84 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.84 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.84 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.84 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.74 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.71 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.71 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.71 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.75 | |
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 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.87 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.87 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.87 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.87 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.94 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.94 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.73 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.73 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.74 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.74 |