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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022446

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYTBUTYLAMINEA1EAG0.79
LEN3-METHYLBUTAN-1-AMINEA1PE50.7
LEN3-METHYLBUTAN-1-AMINEA1PE70.7
LEN3-METHYLBUTAN-1-AMINEA1PE80.7
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.78
1CBCYCLOPENTANAMINEA2AS60.85
2MHcis-4-methylcyclohexanamineA,B,C2PT90.75
DCI2-METHYL-BUTYLAMINEE,I1ENT0.7
DCI2-METHYL-BUTYLAMINEA,I1GVW0.7
DCI2-METHYL-BUTYLAMINEE1EPP0.7
DCI2-METHYL-BUTYLAMINEI4ER10.7
PUT1,4-DIAMINOBUTANEA1I7B0.72
PUT1,4-DIAMINOBUTANEA,B3DZ60.72
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.72
PUT1,4-DIAMINOBUTANEA1I790.72
PUT1,4-DIAMINOBUTANEA,B2O060.72
PUT1,4-DIAMINOBUTANEA,B1JL00.72
PUT1,4-DIAMINOBUTANEA1I720.72
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.72
PUT1,4-DIAMINOBUTANEA,B3DZ40.72
PUT1,4-DIAMINOBUTANEA,B3H0W0.72
PUT1,4-DIAMINOBUTANEA,B3DZ30.72
PUT1,4-DIAMINOBUTANEA,B1MSV0.72
PUT1,4-DIAMINOBUTANEA1I7C0.72
PUT1,4-DIAMINOBUTANEA,B3DZ70.72
PUT1,4-DIAMINOBUTANEA,B3EPB0.72
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.72
PUT1,4-DIAMINOBUTANEA,B3DZ20.72
PUT1,4-DIAMINOBUTANEA,B3DZ50.72
PUT1,4-DIAMINOBUTANEA,B3EPA0.72
PUT1,4-DIAMINOBUTANEA,B3H0V0.72
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.74
16DHEXANE-1,6-DIAMINEA,B,C2QK90.81
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.81
3CN3-AMINOPROPANEA,B,C,D3C0R0.71
3CN3-AMINOPROPANEB3BY40.71
A72TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.76
N2PPENTANE-1,5-DIAMINEA,B2OO00.8
N2PPENTANE-1,5-DIAMINEA,B1H3M0.8
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.8
HAICYCLOHEXYLAMMONIUM IONA1NAW0.88
HAICYCLOHEXYLAMMONIUM IONA,B2H520.88
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.88
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.88
2EP2-ETHYLPIPERIDINEH,I1A4W0.73
297dodecane-1,12-diamineA,B3BI20.72
AMLAMYLAMINEA1JIR0.88
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.85
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH0.82
DIAOCTANE 1,8-DIAMINEA,B3BI50.72
DIAOCTANE 1,8-DIAMINEA,B,C1H830.72
BNONORLEUCINE BORONIC ACIDA,P6LPR0.78
BNONORLEUCINE BORONIC ACIDA,P3LPR0.78
BNONORLEUCINE BORONIC ACIDA,P1P050.78