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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012516

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYTBUTYLAMINEA1EAG0.79
2MHcis-4-methylcyclohexanamineA,B,C2PT90.75
B2IISOLEUCINE BORONIC ACIDA,P1P040.81
B2IISOLEUCINE BORONIC ACIDE,I5EST0.81
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
DCI2-METHYL-BUTYLAMINEE,I1ENT0.92
DCI2-METHYL-BUTYLAMINEA,I1GVW0.92
DCI2-METHYL-BUTYLAMINEE1EPP0.92
DCI2-METHYL-BUTYLAMINEI4ER10.92
B2VVALINE BORONIC ACIDA,P2LPR0.74
B2VVALINE BORONIC ACIDA,P1P030.74
B2VVALINE BORONIC ACIDA,P1P100.74
B2VVALINE BORONIC ACIDA,B2H5D0.74
B2VVALINE BORONIC ACIDA,P1P010.74
3CN3-AMINOPROPANEA,B,C,D3C0R0.71
3CN3-AMINOPROPANEB3BY40.71
LEN3-METHYLBUTAN-1-AMINEA1PE50.92
LEN3-METHYLBUTAN-1-AMINEA1PE70.92
LEN3-METHYLBUTAN-1-AMINEA1PE80.92
BNONORLEUCINE BORONIC ACIDA,P6LPR0.71
BNONORLEUCINE BORONIC ACIDA,P3LPR0.71
BNONORLEUCINE BORONIC ACIDA,P1P050.71
EPI4-ETHYLPIPERIDINEH,I1FPC0.73
AMLAMYLAMINEA1JIR0.8
BLELEUCINE BORONIC ACIDA,P1GBL0.81
BLELEUCINE BORONIC ACIDA,P9LPR0.81
BLELEUCINE BORONIC ACIDA,P7LPR0.81
BLELEUCINE BORONIC ACIDA,P1GBC0.81
BLELEUCINE BORONIC ACIDA,P1GBH0.81
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.81
AMCAMINOMETHYLCYCLOHEXANEA1TNG0.74
AMCAMINOMETHYLCYCLOHEXANEA,B1DLG0.74
NPTNEOPENTYLAMINEI1IVQ0.72
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.83
N2PPENTANE-1,5-DIAMINEA,B2OO00.73
N2PPENTANE-1,5-DIAMINEA,B1H3M0.73
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.73