Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00058190
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 |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.75 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.75 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.71 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.7 | ![]() |
CDO![]() | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.7 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT0 | 0.71 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT1 | 0.71 | ![]() |
180![]() | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]- 3-[[2-CARBONYL-5-[2-(PIPERIDIN- 4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]- PROPIONIC ACID | A,B | 2VC2 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.72 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.72 | ![]() |
NA3![]() | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.77 | ![]() |
162![]() | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.7 | ![]() |
HM4![]() | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN- 3-YL}CARBAMATE | A | 2NQ6 | 0.7 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.7 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.72 | ![]() |
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 | ![]() |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.72 | ![]() |
LIQ![]() | N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)- 2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | A | 2HM1 | 0.77 | ![]() |
N12![]() | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE | H,P | 2ANK | 0.71 | ![]() |
PF3![]() | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.77 | ![]() |
685![]() | 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin- 4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]- 4-methyl-1,3-thiazole-5-carboxamide | A | 3EMG | 0.72 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.73 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.74 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | ![]() |