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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008970

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.7
DIPDIPENTYLAMINEC,D1A1B0.72
DIPDIPENTYLAMINEC,D1A070.72
DIPDIPENTYLAMINEC,D1A1A0.72
DIPDIPENTYLAMINEC,D1A080.72
DIPDIPENTYLAMINEC,D1A090.72
N2PPENTANE-1,5-DIAMINEA,B2OO00.87
N2PPENTANE-1,5-DIAMINEA,B1H3M0.87
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.87
1CBCYCLOPENTANAMINEA2AS60.77
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.75
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.75
AMLAMYLAMINEA1JIR0.95
NPTNEOPENTYLAMINEI1IVQ0.71
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.84
16DHEXANE-1,6-DIAMINEA,B,C2QK90.88
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.88
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.81
PUT1,4-DIAMINOBUTANEA1I7B0.78
PUT1,4-DIAMINOBUTANEA,B3DZ60.78
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.78
PUT1,4-DIAMINOBUTANEA1I790.78
PUT1,4-DIAMINOBUTANEA,B2O060.78
PUT1,4-DIAMINOBUTANEA,B1JL00.78
PUT1,4-DIAMINOBUTANEA1I720.78
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.78
PUT1,4-DIAMINOBUTANEA,B3DZ40.78
PUT1,4-DIAMINOBUTANEA,B3H0W0.78
PUT1,4-DIAMINOBUTANEA,B3DZ30.78
PUT1,4-DIAMINOBUTANEA,B1MSV0.78
PUT1,4-DIAMINOBUTANEA1I7C0.78
PUT1,4-DIAMINOBUTANEA,B3DZ70.78
PUT1,4-DIAMINOBUTANEA,B3EPB0.78
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.78
PUT1,4-DIAMINOBUTANEA,B3DZ20.78
PUT1,4-DIAMINOBUTANEA,B3DZ50.78
PUT1,4-DIAMINOBUTANEA,B3EPA0.78
PUT1,4-DIAMINOBUTANEA,B3H0V0.78
BNONORLEUCINE BORONIC ACIDA,P6LPR0.84
BNONORLEUCINE BORONIC ACIDA,P3LPR0.84
BNONORLEUCINE BORONIC ACIDA,P1P050.84
HAICYCLOHEXYLAMMONIUM IONA1NAW0.81
HAICYCLOHEXYLAMMONIUM IONA,B2H520.81
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.81
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.81
LEN3-METHYLBUTAN-1-AMINEA1PE50.76
LEN3-METHYLBUTAN-1-AMINEA1PE70.76
LEN3-METHYLBUTAN-1-AMINEA1PE80.76
LYTBUTYLAMINEA1EAG0.86
DCI2-METHYL-BUTYLAMINEE,I1ENT0.76
DCI2-METHYL-BUTYLAMINEA,I1GVW0.76
DCI2-METHYL-BUTYLAMINEE1EPP0.76
DCI2-METHYL-BUTYLAMINEI4ER10.76
BLYLYSINE BORONIC ACIDA,H1BTZ0.74
BLYLYSINE BORONIC ACIDA,H1BTW0.74
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.78
DIAOCTANE 1,8-DIAMINEA,B3BI50.78
DIAOCTANE 1,8-DIAMINEA,B,C1H830.78
3CN3-AMINOPROPANEA,B,C,D3C0R0.77
3CN3-AMINOPROPANEB3BY40.77
297dodecane-1,12-diamineA,B3BI20.78