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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022447

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2EP2-ETHYLPIPERIDINEH,I1A4W0.71
LYTBUTYLAMINEA1EAG0.76
2MHcis-4-methylcyclohexanamineA,B,C2PT90.73
AMLAMYLAMINEA1JIR0.84
DIAOCTANE 1,8-DIAMINEA,B3BI50.76
DIAOCTANE 1,8-DIAMINEA,B,C1H830.76
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.79
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.82
HAICYCLOHEXYLAMMONIUM IONA1NAW0.85
HAICYCLOHEXYLAMMONIUM IONA,B2H520.85
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.85
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.85
297dodecane-1,12-diamineA,B3BI20.76
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.81
N2PPENTANE-1,5-DIAMINEA,B2OO00.77
N2PPENTANE-1,5-DIAMINEA,B1H3M0.77
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.77
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.71
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.79
16DHEXANE-1,6-DIAMINEA,B,C2QK90.85
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.85
DIPDIPENTYLAMINEC,D1A1B0.71
DIPDIPENTYLAMINEC,D1A070.71
DIPDIPENTYLAMINEC,D1A1A0.71
DIPDIPENTYLAMINEC,D1A080.71
DIPDIPENTYLAMINEC,D1A090.71
BNONORLEUCINE BORONIC ACIDA,P6LPR0.75
BNONORLEUCINE BORONIC ACIDA,P3LPR0.75
BNONORLEUCINE BORONIC ACIDA,P1P050.75
CHN4-AMINOMETHYL-CYCLOHEXYLAMINEA,I1D9I0.71
1CBCYCLOPENTANAMINEA2AS60.81
BLYLYSINE BORONIC ACIDA,H1BTZ0.72
BLYLYSINE BORONIC ACIDA,H1BTW0.72