Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00334415
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 |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.72 | |
FTC | N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]- N'-[5-CHLORO-PYRIDYL]-THIOUREA | A | 1DTT | 0.72 | |
FTC | N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]- N'-[5-CHLORO-PYRIDYL]-THIOUREA | A | 1JLC | 0.72 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.71 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.71 | |
3IP | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.77 | |
I1H | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.72 | |
I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDO | 0.71 | |
I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2JDT | 0.71 | |
I5S | ISOQUINOLINE-5-SULFONIC ACID (2- (2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | A | 2C1A | 0.71 | |
7PC | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.78 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.71 | |
9IP | N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHS | 0.7 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.71 | |
I48 | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)- ETHOXY]-PHENYL}-BENZENESULFONAMIDE | H | 1UVT | 0.72 | |
4PY | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H- PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | E | 2OJF | 0.7 | |
H1L | (2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN- 2-YL]OXY}PHENOXY)PROPANOIC ACID | A,B,C | 1UYS | 0.75 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.78 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.78 | |
353 | N-{4-[(2-amino-3-chloropyridin- 4-yl)oxy]-3-fluorophenyl}-4-ethoxy- 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carboxamide | A | 3F82 | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.71 | |
KIN | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.74 | |
L11 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO- | A | 1W83 | 0.74 | |
722 | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium | A,B | 3EGT | 0.7 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.71 |