Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03322030
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 |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.71 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.7 | |
NA3 | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.73 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.75 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.71 | |
NNR | Nicotinamide riboside | A | 2QT1 | 0.71 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.72 | |
R69 | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 0.72 | |
BDE | N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE | A,B,C,D,E,F | 2GLP | 0.8 | |
TIT | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE | A,B | 1W6H | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.77 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.77 | |
R94 | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN- 1-YLBENZOYL)BENZOYL]AMINO}AZEPAN- 3-YL)ISONICOTINAMIDE | A | 1XH6 | 0.71 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.74 | |
PYU | 2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol | A,B | 3EKO | 0.73 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.71 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.71 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.71 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.71 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.71 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.71 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.71 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.71 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.71 | |
BFU | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6- FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)- CYCLOPROPYL]-UREA | A | 1EET | 0.73 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.72 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.72 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.72 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.72 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.76 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.76 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.76 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.76 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.76 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.76 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.76 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.76 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.76 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.76 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.76 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.76 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.76 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.76 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.76 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.76 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 |