Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00382697
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 |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.76 | |
B66 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl- 3-(4-nitrophenoxy)propyl]amino}- 2-(trifluoromethyl)benzonitrile | A | 3B66 | 0.72 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.73 | |
11R | RUTHENIUM WIRE, 11 CARBON LINKER | A | 2CG1 | 0.7 | |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.74 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.71 | |
R4A | BIS[1H,1'H-2,2'-BIPYRIDINATO(2- )-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10- DIHYDRO-1,10-PHENANTHROLIN-4-YL- KAPPA~2~N~1~,N~10~)BUTOXY]-N,N- DIMETHYLANILINATO(2-)}RUTHENIUM | A,B | 2CFD | 0.7 | |
R4A | BIS[1H,1'H-2,2'-BIPYRIDINATO(2- )-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10- DIHYDRO-1,10-PHENANTHROLIN-4-YL- KAPPA~2~N~1~,N~10~)BUTOXY]-N,N- DIMETHYLANILINATO(2-)}RUTHENIUM | A,B | 2CFG | 0.7 | |
R4A | BIS[1H,1'H-2,2'-BIPYRIDINATO(2- )-KAPPA~2~N~1~,N~1'~]{3-[4-(1,10- DIHYDRO-1,10-PHENANTHROLIN-4-YL- KAPPA~2~N~1~,N~10~)BUTOXY]-N,N- DIMETHYLANILINATO(2-)}RUTHENIUM | A | 2BT3 | 0.7 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 |