Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00148028
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 |
MXX![]() | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.77 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.75 | ![]() |
451![]() | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.74 | ![]() |
MDC![]() | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.74 | ![]() |
ROS![]() | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.74 | ![]() |
RHO![]() | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.72 | ![]() |
RHO![]() | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.72 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.72 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.72 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.72 | ![]() |
N4E![]() | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.72 | ![]() |
XM5![]() | 6-methoxy-9-methyl[1,3]dioxolo[4,5- h]quinolin-8(9H)-one | A,B | 3G5M | 0.72 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.71 | ![]() |
RPF![]() | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.7 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | ![]() |
GWB![]() | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO- 3-ISOPROPYLQUINOLIN-2(1H)-ONE | A | 1TKX | 0.7 | ![]() |
11R![]() | RUTHENIUM WIRE, 11 CARBON LINKER | A | 2CG1 | 0.7 | ![]() |
426![]() | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 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 | 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 | ![]() |