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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008971

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1CBCYCLOPENTANAMINEA2AS60.74
HAICYCLOHEXYLAMMONIUM IONA1NAW0.78
HAICYCLOHEXYLAMMONIUM IONA,B2H520.78
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.78
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.78
AMCAMINOMETHYLCYCLOHEXANEA1TNG0.71
AMCAMINOMETHYLCYCLOHEXANEA,B1DLG0.71
BPTBIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEXA1AU60.7
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.72
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.72
PUT1,4-DIAMINOBUTANEA1I7B0.75
PUT1,4-DIAMINOBUTANEA,B3DZ60.75
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.75
PUT1,4-DIAMINOBUTANEA1I790.75
PUT1,4-DIAMINOBUTANEA,B2O060.75
PUT1,4-DIAMINOBUTANEA,B1JL00.75
PUT1,4-DIAMINOBUTANEA1I720.75
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.75
PUT1,4-DIAMINOBUTANEA,B3DZ40.75
PUT1,4-DIAMINOBUTANEA,B3H0W0.75
PUT1,4-DIAMINOBUTANEA,B3DZ30.75
PUT1,4-DIAMINOBUTANEA,B1MSV0.75
PUT1,4-DIAMINOBUTANEA1I7C0.75
PUT1,4-DIAMINOBUTANEA,B3DZ70.75
PUT1,4-DIAMINOBUTANEA,B3EPB0.75
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.75
PUT1,4-DIAMINOBUTANEA,B3DZ20.75
PUT1,4-DIAMINOBUTANEA,B3DZ50.75
PUT1,4-DIAMINOBUTANEA,B3EPA0.75
PUT1,4-DIAMINOBUTANEA,B3H0V0.75
LEN3-METHYLBUTAN-1-AMINEA1PE50.73
LEN3-METHYLBUTAN-1-AMINEA1PE70.73
LEN3-METHYLBUTAN-1-AMINEA1PE80.73
LYTBUTYLAMINEA1EAG0.83
DREN-(6-AMINOHEXYL)HEXANE-1,6-DIAMINEA,B1Z6L0.73
N2PPENTANE-1,5-DIAMINEA,B2OO00.83
N2PPENTANE-1,5-DIAMINEA,B1H3M0.83
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.83
DIAOCTANE 1,8-DIAMINEA,B3BI50.81
DIAOCTANE 1,8-DIAMINEA,B,C1H830.81
BNONORLEUCINE BORONIC ACIDA,P6LPR0.81
BNONORLEUCINE BORONIC ACIDA,P3LPR0.81
BNONORLEUCINE BORONIC ACIDA,P1P050.81
AMLAMYLAMINEA1JIR0.91
297dodecane-1,12-diamineA,B3BI20.81
DCI2-METHYL-BUTYLAMINEE,I1ENT0.73
DCI2-METHYL-BUTYLAMINEA,I1GVW0.73
DCI2-METHYL-BUTYLAMINEE1EPP0.73
DCI2-METHYL-BUTYLAMINEI4ER10.73
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.88
3CN3-AMINOPROPANEA,B,C,D3C0R0.74
3CN3-AMINOPROPANEB3BY40.74
16DHEXANE-1,6-DIAMINEA,B,C2QK90.92
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.92
DIPDIPENTYLAMINEC,D1A1B0.76
DIPDIPENTYLAMINEC,D1A070.76
DIPDIPENTYLAMINEC,D1A1A0.76
DIPDIPENTYLAMINEC,D1A080.76
DIPDIPENTYLAMINEC,D1A090.76
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.85
0AYdiethyl [(1R)-1,5-diaminopentyl]boronateA,H1BTX0.71
BLYLYSINE BORONIC ACIDA,H1BTZ0.78
BLYLYSINE BORONIC ACIDA,H1BTW0.78
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.75