Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02657576
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 |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.77 | |
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 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.73 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 3FHX | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2DDW | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9W | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9X | 0.7 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 1TD2 | 0.7 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.7 | |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.71 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.77 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.78 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 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 | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.74 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.74 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.74 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.85 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.85 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.85 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.85 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.79 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.79 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.79 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.79 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.74 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.82 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.82 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.82 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.82 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.82 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.82 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.82 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.82 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.82 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.82 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.82 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.82 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.82 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.82 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.82 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.82 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.82 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.82 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.82 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.82 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.75 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.72 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.72 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.76 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.76 | |
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 | |
DPY | A,B | 1JES | 0.72 | ||
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.76 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.76 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.78 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.7 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.7 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.7 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.7 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.7 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.7 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.71 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.72 | |
NNR | Nicotinamide riboside | A | 2QT1 | 0.72 |