Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00872667
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 |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.71 | |
SX5 | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.75 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.75 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.75 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.75 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.75 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.75 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.75 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.75 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.75 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.73 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.7 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.7 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.7 | |
SX2 | 4-[(5-bromopyridin-2-yl)amino]- 4-oxobutanoic acid | A,B | 3CJ0 | 0.76 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | |
NA3 | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.91 | |
PM2 | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.73 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.7 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.7 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.7 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.73 | |
NNR | Nicotinamide riboside | A | 2QT1 | 0.73 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.7 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.7 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.7 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.74 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.79 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.79 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.79 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.79 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.79 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.79 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.79 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.79 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.79 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.79 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.79 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.79 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.79 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.79 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.79 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.87 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.73 | |
MYT | METYRAPONE | A | 1PHG | 0.7 | |
MYT | METYRAPONE | A | 1W0G | 0.7 |