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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03245195

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.77
1744-CHLORO-BENZOIC ACIDX1T5D0.77
DIC3,4-DICHLOROISOCOUMARINA1DIC0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.73
3CAA,B2B770.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.79
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.79
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.79
BZQDIPHENYLMETHANONEA,B1GT50.71
BZQDIPHENYLMETHANONEA,B1DZP0.71
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.72
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
26CA,B2F7I0.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
BFLA,B1Q4G0.73
FBCA,B2B9A0.73
4FCA1YSG0.73
973(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-
5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-
ONE
A2Q850.72