Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022054
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 |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.8 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.8 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.79 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.79 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.79 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.79 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.79 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.79 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.79 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.79 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.78 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.78 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.78 | ![]() |
AXD![]() | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.75 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.74 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.74 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.74 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.74 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.74 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.74 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.74 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.73 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.72 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.72 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.72 | ![]() |
24X![]() | H,L | 2EC9 | 0.72 | ![]() | |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.72 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.71 | ![]() |