Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00264312
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 |
NA3![]() | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.75 | ![]() |
4HG![]() | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G19 | 0.73 | ![]() |
4HG![]() | N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE | A | 2G1M | 0.73 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.74 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.74 | ![]() |
N5F![]() | (2S)-2-[({3-hydroxy-2-methyl-5- [(phosphonooxy)methyl]pyridin-4- yl}methyl)amino]hexanedioic acid | A,B | 3CBF | 0.7 | ![]() |
KE4![]() | (4R)-5-AMINO-4-[({3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]PENTANOIC ACID | A,B | 2HP2 | 0.7 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.75 | ![]() |
EA5![]() | (4S)-4-AMINO-5-[({3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)AMINO]PENTANOIC ACID | A,B | 2HP1 | 0.7 | ![]() |
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 | ![]() |
PMG![]() | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID | A,B | 1X29 | 0.72 | ![]() |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.76 | ![]() |
ORX![]() | N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)-D-ORNITHINE | A,B,C,D | 1SZR | 0.71 | ![]() |
ORX![]() | N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)-D-ORNITHINE | A,B,C,D | 1NJJ | 0.71 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.73 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.7 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.7 | ![]() |
PDG![]() | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)-D-GLUTAMIC ACID | A,B | 2GMU | 0.73 | ![]() |
PDG![]() | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)-D-GLUTAMIC ACID | A,B | 1X2A | 0.73 | ![]() |
ILP![]() | N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE | A,B | 1KT8 | 0.7 | ![]() |
KET![]() | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL- PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID | A | 1MAP | 0.72 | ![]() |
PE1![]() | N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYL)-L-LYSINE | A,B,H,L | 1WCB | 0.7 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.71 | ![]() |
PGU![]() | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin- 4-yl}methyl)-L-glutamic acid | A,B | 2R0T | 0.73 | ![]() |
PGU![]() | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin- 4-yl}methyl)-L-glutamic acid | A,B | 1X28 | 0.73 | ![]() |
PGU![]() | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin- 4-yl}methyl)-L-glutamic acid | A | 1MAQ | 0.73 | ![]() |
PGU![]() | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin- 4-yl}methyl)-L-glutamic acid | A,B | 3EI5 | 0.73 | ![]() |
PGU![]() | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin- 4-yl}methyl)-L-glutamic acid | A,B,C | 1IYE | 0.73 | ![]() |
PGU![]() | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin- 4-yl}methyl)-L-glutamic acid | A,B,C,D | 2OGA | 0.73 | ![]() |