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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03171285

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIY5-BUTYLPIPERIDINEC,D1A1E0.77
GZZN-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINEA,B,C1H820.71
HPLHEPTYLFORMAMIDEA,B1U3V0.74
GC71-GUANIDINIUM-7-AMINOHEPTANEA,B1RQD0.8
DIAOCTANE 1,8-DIAMINEA,B3BI50.81
DIAOCTANE 1,8-DIAMINEA,B,C1H830.81
297dodecane-1,12-diamineA,B3BI20.81
16DHEXANE-1,6-DIAMINEA,B,C2QK90.71
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.71
B33N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-
1,3-DIAMINE
A,B2B4B0.73
DIPDIPENTYLAMINEC,D1A1B0.87
DIPDIPENTYLAMINEC,D1A070.87
DIPDIPENTYLAMINEC,D1A1A0.87
DIPDIPENTYLAMINEC,D1A080.87
DIPDIPENTYLAMINEC,D1A090.87
10ADIDECYL-DIMETHYL-AMMONIUMA,B,C,D1KPH0.74
10ADIDECYL-DIMETHYL-AMMONIUMA1KPI0.74
FXY1-METHYLHEPTYLFORMAMIDEA,B1U3W0.73
PIPPIPERIDINEH1ETS0.76
PIPPIPERIDINEH1ETT0.76
PIPPIPERIDINEE,I1PPC0.76
PIPPIPERIDINEI1QUR0.76
PIPPIPERIDINEE1PPH0.76
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEB1O9M0.73
P241-(AMINOETHYL)AMINO-4-AMINOBUTANEA,B292D0.73
16ACETYL-TRIMETHYL-AMMONIUMA3HF00.71
16ACETYL-TRIMETHYL-AMMONIUMA,B,C,D1KPG0.71
16ACETYL-TRIMETHYL-AMMONIUMA1TPY0.71
2EP2-ETHYLPIPERIDINEH,I1A4W0.75
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.9
CATDODECANE-TRIMETHYLAMINEA,B2SHP0.73
NMH(R)-N-(1-METHYL-HEXYL)-FORMAMIDEA,B,C,D1P1R0.7
DIXMETHYL(CYCLOPENTYL-PROPYL)AMINEC,D1A1C0.76