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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03435522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.76
CMY(6-AMINOHEXYL)CARBAMIC ACIDA,B2DQO0.7
CMY(6-AMINOHEXYL)CARBAMIC ACIDA2DQP0.7
CMY(6-AMINOHEXYL)CARBAMIC ACIDA,B2DPB0.7
CMY(6-AMINOHEXYL)CARBAMIC ACIDA,B2DPC0.7
CMY(6-AMINOHEXYL)CARBAMIC ACIDA2DQQ0.7
CMY(6-AMINOHEXYL)CARBAMIC ACIDA,B2DP70.7
CDUN-CYCLOHEXYL-N'-DECYLUREAA,B1EK20.71
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.71
NMH(R)-N-(1-METHYL-HEXYL)-FORMAMIDEA,B,C,D1P1R0.76
ICCazepan-2-oneA,B2ZUK0.71
SP7N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}acetamide
A,B3CNP0.8
HPLHEPTYLFORMAMIDEA,B1U3V0.79
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.71
SP5N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamideA,B3CND0.81
LDM3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDEA1OKC0.77
FXY1-METHYLHEPTYLFORMAMIDEA,B1U3W0.78