Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022787
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 |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.71 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.71 | ![]() |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.76 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.71 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.71 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.86 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.86 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.77 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.77 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.77 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.73 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.71 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | ![]() |
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 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.84 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.71 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.71 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.78 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.78 | ![]() |