Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233597
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 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.71 | |
39Z | 5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE | A | 2PE0 | 0.71 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.72 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.72 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.72 | |
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 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.7 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.72 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.72 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.7 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.71 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.71 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.74 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.74 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.74 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.74 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.7 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.74 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.74 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.81 | |
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 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.73 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.7 |