Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03169364
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 |
R9A | RUTHENIUM WIRE, 9 CARBON LINKER | A | 2CG0 | 0.71 | |
J67 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin- 8-yl)methyl]-4-[(E)-2-phenylethenyl]- 1H-indole-2,3-dione 3-oxime | X | 3G9L | 0.7 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.79 | |
R7U | RUTHENIUM WIRE, 7 CARBON LINKER | A | 2CFW | 0.71 | |
GSG | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A- HEXAHYDROPYRROLO[2,3-B]INDOL-5- YL 2-ETHYLPHENYLCARBAMATE | A | 2BAG | 0.71 | |
R6A | RUTHENIUM WIRE, 6 CARBON LINKER | A | 2CFL | 0.71 | |
R5B | RUTHENIUM WIRE WC5 | A | 2CFK | 0.71 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.7 | |
EDR | EDROPHONIUM ION | A | 2ACK | 0.7 | |
11R | RUTHENIUM WIRE, 11 CARBON LINKER | A | 2CG1 | 0.7 | |
BIJ | 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY- 4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}- 2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}- 2-METHYL-2,3-DIHYDRO-1H-ISOINDOL- 1-ONE | A | 2JKO | 0.71 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.7 | |
R03 | ALLYL-{6-[3-(4-BROMO-PHENYL)-1- METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)- N-METHYLAMINE | A,B,C | 1H39 | 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 | 0.71 | |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.76 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.71 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.71 | |
J88 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin- 8-yl)methyl]-4-phenyl-1H-indole- 2,3-dione 3-oxime | A | 3G9N | 0.7 | |
AL1 | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)- 2H-THIENO-[3,2-E]-1,2-THIAZINE- 6-SULFONAMIDE-1,1-DIOXIDE | A | 1BNN | 0.72 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 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 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.74 | |
R5A | RUTHENIUM WIRE, 5 CARBON LINKER | A | 2CFK | 0.71 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.76 | |
INL | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN- 4-YLMETHYL)-2H-THIENO[3,2-E]-1,2- THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | A | 1I8Z | 0.7 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.72 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.77 |