Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005831
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 |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.78 | |
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 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.85 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.72 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | |
MIL | MILRINONE | A,B | 1TLM | 0.73 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.72 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.86 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.86 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.7 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.72 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.72 | |
MYT | METYRAPONE | A | 1PHG | 0.75 | |
MYT | METYRAPONE | A | 1W0G | 0.75 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.79 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.79 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.76 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.76 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.78 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.78 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.78 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.78 | |
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 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.74 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.74 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.87 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.87 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.87 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.87 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.87 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.87 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.87 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.87 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.87 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.87 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.87 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.87 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.87 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.87 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.87 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.87 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.87 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.87 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.87 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.87 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.81 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.81 |