Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00216998
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 |
MDW | (1R)-N,6-DIHYDROXY-7-METHOXY-2- [(4-METHOXYPHENYL)SULFONYL]-1,2,3,4- TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | A | 2DDY | 0.72 | |
A88 | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)- 1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4- TRIAZACYCLOHEPTANE | A | 1PRO | 0.8 | |
AAU | (5R,6R)-5-BENZYL-6-HYDROXY-2,4- BIS(4-HYDROXY-3-METHOXYBENZYL)- 1-[3-(4-HYDROXYPHENYL)PROPANOYL]- 1,2,4-TRIAZEPAN-3-ONE | B | 2A4F | 0.76 | |
MOI | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.72 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.87 | |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.77 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.71 | |
DPD | A,B | 1QIW | 0.74 | ||
DPD | A | 1QIV | 0.74 | ||
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.78 | |
REN | (S)-reticuline | A | 3FWA | 0.87 | |
REN | (S)-reticuline | A | 3D2D | 0.87 | |
GNT | (-)-GALANTHAMINE | A | 1DX6 | 0.71 | |
GNT | (-)-GALANTHAMINE | A | 1QTI | 0.71 | |
GNT | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.71 | |
GNT | (-)-GALANTHAMINE | A,B | 1W76 | 0.71 | |
GNT | (-)-GALANTHAMINE | A | 1W6R | 0.71 | |
AH1 | AHA001 | A | 1AJX | 0.71 |