Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03860592
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 |
CAU![]() | (2S)-1-(9H-Carbazol-4-yloxy)-3- (isopropylamino)propan-2-ol | A | 2RH1 | 0.71 | ![]() |
012![]() | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.71 | ![]() |
HRM![]() | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5X | 0.77 | ![]() |
HRM![]() | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | A | 2Z5Y | 0.77 | ![]() |
11R![]() | RUTHENIUM WIRE, 11 CARBON LINKER | A | 2CG1 | 0.75 | ![]() |
B11![]() | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.72 | ![]() |
HBY![]() | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY- 3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN- 2(1H)-THIONE | A | 2IC3 | 0.71 | ![]() |
HBY![]() | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY- 3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN- 2(1H)-THIONE | A | 1BQM | 0.71 | ![]() |
HBY![]() | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY- 3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN- 2(1H)-THIONE | A | 1BQN | 0.71 | ![]() |
HBY![]() | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY- 3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN- 2(1H)-THIONE | A | 1HQU | 0.71 | ![]() |
AL8![]() | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)- 4-METHYLAMINO-2H-THIENO[3,2-E]- 1,2-THIAZINE-6-SULFONAMIDE-1,1- DIOXIDE | A | 1BNM | 0.77 | ![]() |
PTI![]() | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 1JUS | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,D,E | 3BR6 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B | 3D6Z | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1OY8 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1T9V | 0.71 | ![]() |
MXX![]() | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 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 | 0.75 | ![]() |
R5A![]() | RUTHENIUM WIRE, 5 CARBON LINKER | A | 2CFK | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.71 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.75 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.72 | ![]() |
QUM![]() | QUINACRINE MUSTARD | A,B | 1GXF | 0.71 | ![]() |
DPD![]() | A,B | 1QIW | 0.71 | ![]() | |
DPD![]() | A | 1QIV | 0.71 | ![]() | |
GVB![]() | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.83 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.7 | ![]() |
T1D![]() | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.77 | ![]() |
AEJ![]() | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.7 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.72 | ![]() |
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 | 0.75 | ![]() |
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 | 0.75 | ![]() |
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 | 0.75 | ![]() |
R9A![]() | RUTHENIUM WIRE, 9 CARBON LINKER | A | 2CG0 | 0.7 | ![]() |
771![]() | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO- 5-METHOXY-BENZYLAMINO)-BENZAMIDINE | H,L | 1W0Y | 0.7 | ![]() |
ROS![]() | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.73 | ![]() |
R7U![]() | RUTHENIUM WIRE, 7 CARBON LINKER | A | 2CFW | 0.7 | ![]() |
4BO![]() | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.7 | ![]() |
P32![]() | 4-{[(2S)-3-(tert-butylamino)-2- hydroxypropyl]oxy}-3H-indole-2- carbonitrile | A,B,C,D | 2VT4 | 0.7 | ![]() |
P13![]() | N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL- 5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE | B | 1UTS | 0.71 | ![]() |
R6A![]() | RUTHENIUM WIRE, 6 CARBON LINKER | A | 2CFL | 0.7 | ![]() |
AL1![]() | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)- 2H-THIENO-[3,2-E]-1,2-THIAZINE- 6-SULFONAMIDE-1,1-DIOXIDE | A | 1BNN | 0.73 | ![]() |
R5B![]() | RUTHENIUM WIRE WC5 | A | 2CFK | 0.7 | ![]() |
AL7![]() | (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)- 4-METHYLAMINO-2H-THIENO[3,2-E]- 1,2-THIAZINE-6-SULFONAMIDE-1,1- DIOXIDE | A | 1BNV | 0.77 | ![]() |
ML2![]() | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.7 | ![]() |
ML2![]() | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.7 | ![]() |
GSG![]() | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A- HEXAHYDROPYRROLO[2,3-B]INDOL-5- YL 2-ETHYLPHENYLCARBAMATE | A | 2BAG | 0.75 | ![]() |
MDC![]() | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.72 | ![]() |