Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00260868
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 |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.73 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | ![]() |
F10![]() | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.73 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.73 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.73 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.73 | ![]() |
NA3![]() | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.77 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.74 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.74 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.74 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.76 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.78 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.78 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.71 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.83 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.83 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.73 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.73 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.73 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.76 | ![]() |
FXV![]() | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.76 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | ![]() |