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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01042038

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VGA1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-
3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-
3-OL
A,B,E,F2W4I0.7
5215-(4-CHLORO-5-PHENYL-3-THIENYL)-
1,2,5-THIADIAZOLIDIN-3-ONE 1,1-
DIOXIDE
A2NTA0.73
ARRN-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-
2-CARBOXIMIDAMIDE
A,B1VAF0.74
ARRN-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-
2-CARBOXIMIDAMIDE
A1VAG0.74
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.71
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.71
3SPN-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-
2-YL}METHYL)-L-PROLINAMIDE
D,H2FES0.71