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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022428

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R1
B2VVALINE BORONIC ACIDA,P2LPR0.77
B2VVALINE BORONIC ACIDA,P1P030.77
B2VVALINE BORONIC ACIDA,P1P100.77
B2VVALINE BORONIC ACIDA,B2H5D0.77
B2VVALINE BORONIC ACIDA,P1P010.77
NTBTERTIARY-BUTYLAMINEA,B1HXB0.71
NTBTERTIARY-BUTYLAMINEA,B2FGU0.71
NTBTERTIARY-BUTYLAMINEA,B1MTB0.71
NTBTERTIARY-BUTYLAMINEA,B2FGV0.71
BLELEUCINE BORONIC ACIDA,P1GBL0.78
BLELEUCINE BORONIC ACIDA,P9LPR0.78
BLELEUCINE BORONIC ACIDA,P7LPR0.78
BLELEUCINE BORONIC ACIDA,P1GBC0.78
BLELEUCINE BORONIC ACIDA,P1GBH0.78
2MHcis-4-methylcyclohexanamineA,B,C2PT90.72
LEN3-METHYLBUTAN-1-AMINEA1PE50.88
LEN3-METHYLBUTAN-1-AMINEA1PE70.88
LEN3-METHYLBUTAN-1-AMINEA1PE80.88
3CN3-AMINOPROPANEA,B,C,D3C0R0.74
3CN3-AMINOPROPANEB3BY40.74
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.87
NPTNEOPENTYLAMINEI1IVQ0.75
B2IISOLEUCINE BORONIC ACIDA,P1P040.78
B2IISOLEUCINE BORONIC ACIDE,I5EST0.78
DCI2-METHYL-BUTYLAMINEE,I1ENT0.88
DCI2-METHYL-BUTYLAMINEA,I1GVW0.88
DCI2-METHYL-BUTYLAMINEE1EPP0.88
DCI2-METHYL-BUTYLAMINEI4ER10.88
LYTBUTYLAMINEA1EAG0.75