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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017954

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.75
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.72
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.72
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.72
PAUPANTOTHENOIC ACIDA,B2F9W0.71
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.71
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.71
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.71
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C1E0.75
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C2K0.75
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA20.7
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA60.7