Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02116377
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 |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.71 | |
C1D | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN- 3-YL)METHYL]AMINO}ETHYL)-6-CHLORO- 3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]- 1,4-DIHYDROPYRAZIN-2-OL | H,I | 2BXU | 0.72 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.7 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.7 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.7 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.7 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.7 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.7 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.7 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.7 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.7 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.7 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.7 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.7 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.7 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.7 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.7 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.7 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.7 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.7 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.7 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.7 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.7 | |
CDA | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.83 | |
CDD | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}- 2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | B,C | 1MUE | 0.77 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.73 | |
MIL | MILRINONE | A,B | 1TLM | 0.75 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.79 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | |
CDB | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU8 | 0.78 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | |
SX2 | 4-[(5-bromopyridin-2-yl)amino]- 4-oxobutanoic acid | A,B | 3CJ0 | 0.7 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 |