Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01677373
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 |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.71 |  |
| 1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.71 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.71 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.71 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | |
SBR | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.71 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.71 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.74 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.71 | |
I10 | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO- 3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE | A | 1BGO | 0.76 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.7 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.7 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.71 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.75 | |
| NNR | Nicotinamide riboside | A | 2QT1 | 0.75 | |
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 | 0.74 | |
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 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.7 | |
304 | N-[2-methyl-5-(methylcarbamoyl)phenyl]- 2-{[(1R)-1-methylpropyl]amino}- 1,3-thiazole-5-carboxamide | A | 3BX5 | 0.71 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QSZ | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1TA8 | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1HYB | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAA | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA9 | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUP | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUS | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1Y1P | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C,D,E,F | 2GVG | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA8 | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAB | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZK | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C | 1GZU | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2H3D | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2G96 | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QG6 | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1ISJ | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZJ | 0.73 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2HCT | 0.73 | |
PF3 | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.75 | |
PM2 | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.71 | |
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 | |
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 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.73 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.75 | |
| DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.75 | |
SBS | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.71 | |
LI3 | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN- 4-YLBENZAMIDE | A | 1WBV | 0.7 | |
NHB | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.71 | |