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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009527

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NEHETHANAMINEA1YY20.71
NEHETHANAMINEA,B2IBI0.71
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.78
16DHEXANE-1,6-DIAMINEA,B,C2QK90.83
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.83
HAICYCLOHEXYLAMMONIUM IONA1NAW0.77
HAICYCLOHEXYLAMMONIUM IONA,B2H520.77
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.77
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.77
BLELEUCINE BORONIC ACIDA,P1GBL0.7
BLELEUCINE BORONIC ACIDA,P9LPR0.7
BLELEUCINE BORONIC ACIDA,P7LPR0.7
BLELEUCINE BORONIC ACIDA,P1GBC0.7
BLELEUCINE BORONIC ACIDA,P1GBH0.7
0AYdiethyl [(1R)-1,5-diaminopentyl]boronateA,H1BTX0.7
AMLAMYLAMINEA1JIR1
BNONORLEUCINE BORONIC ACIDA,P6LPR0.88
BNONORLEUCINE BORONIC ACIDA,P3LPR0.88
BNONORLEUCINE BORONIC ACIDA,P1P050.88
3CN3-AMINOPROPANEA,B,C,D3C0R0.81
3CN3-AMINOPROPANEB3BY40.81
LYTBUTYLAMINEA1EAG0.9
DIPDIPENTYLAMINEC,D1A1B0.75
DIPDIPENTYLAMINEC,D1A070.75
DIPDIPENTYLAMINEC,D1A1A0.75
DIPDIPENTYLAMINEC,D1A080.75
DIPDIPENTYLAMINEC,D1A090.75
PUT1,4-DIAMINOBUTANEA1I7B0.82
PUT1,4-DIAMINOBUTANEA,B3DZ60.82
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.82
PUT1,4-DIAMINOBUTANEA1I790.82
PUT1,4-DIAMINOBUTANEA,B2O060.82
PUT1,4-DIAMINOBUTANEA,B1JL00.82
PUT1,4-DIAMINOBUTANEA1I720.82
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.82
PUT1,4-DIAMINOBUTANEA,B3DZ40.82
PUT1,4-DIAMINOBUTANEA,B3H0W0.82
PUT1,4-DIAMINOBUTANEA,B3DZ30.82
PUT1,4-DIAMINOBUTANEA,B1MSV0.82
PUT1,4-DIAMINOBUTANEA1I7C0.82
PUT1,4-DIAMINOBUTANEA,B3DZ70.82
PUT1,4-DIAMINOBUTANEA,B3EPB0.82
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.82
PUT1,4-DIAMINOBUTANEA,B3DZ20.82
PUT1,4-DIAMINOBUTANEA,B3DZ50.82
PUT1,4-DIAMINOBUTANEA,B3EPA0.82
PUT1,4-DIAMINOBUTANEA,B3H0V0.82
297dodecane-1,12-diamineA,B3BI20.74
DCI2-METHYL-BUTYLAMINEE,I1ENT0.79
DCI2-METHYL-BUTYLAMINEA,I1GVW0.79
DCI2-METHYL-BUTYLAMINEE1EPP0.79
DCI2-METHYL-BUTYLAMINEI4ER10.79
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.71
N2PPENTANE-1,5-DIAMINEA,B2OO00.91
N2PPENTANE-1,5-DIAMINEA,B1H3M0.91
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.91
NPTNEOPENTYLAMINEI1IVQ0.74
B2IISOLEUCINE BORONIC ACIDA,P1P040.7
B2IISOLEUCINE BORONIC ACIDE,I5EST0.7
1CBCYCLOPENTANAMINEA2AS60.8
LEN3-METHYLBUTAN-1-AMINEA1PE50.79
LEN3-METHYLBUTAN-1-AMINEA1PE70.79
LEN3-METHYLBUTAN-1-AMINEA1PE80.79
DIAOCTANE 1,8-DIAMINEA,B3BI50.74
DIAOCTANE 1,8-DIAMINEA,B,C1H830.74
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.8
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.74
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.78
BLYLYSINE BORONIC ACIDA,H1BTZ0.77
BLYLYSINE BORONIC ACIDA,H1BTW0.77