Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00794553
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 |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.75 |  |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.75 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.75 | |
MIL | MILRINONE | A,B | 1TLM | 0.77 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.88 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.72 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.78 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 1DMA | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 1ISM | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 1YC5 | 0.78 | |
| NCA | NICOTINAMIDE | A | 2ZB7 | 0.78 | |
| NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 2QQG | 0.78 | |
| NCA | NICOTINAMIDE | A | 2OTV | 0.78 | |
| NCA | NICOTINAMIDE | A | 2QHF | 0.78 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 2HJH | 0.78 | |
| NCA | NICOTINAMIDE | A | 2A15 | 0.78 | |
| NCA | NICOTINAMIDE | A | 2R6V | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 1ISI | 0.78 | |
| NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.78 | |
| NCA | NICOTINAMIDE | A | 2H4J | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 2OD9 | 0.78 | |
| NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.78 | |
| NCA | NICOTINAMIDE | A,B | 3DZG | 0.78 | |
| NCA | NICOTINAMIDE | A | 1OJU | 0.78 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1X | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWE | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LW0 | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HND | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1FKP | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1U | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWF | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HNY | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1VRT | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWC | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLB | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 3HVT | 0.71 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLF | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.82 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.82 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.82 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.82 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.82 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.82 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.74 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.72 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.72 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.79 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.79 | |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.71 | |
MYT | METYRAPONE | A | 1PHG | 0.72 | |
| MYT | METYRAPONE | A | 1W0G | 0.72 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.75 | |
| HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.75 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.74 | |
| DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.74 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.75 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.72 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.72 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.71 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.73 | |