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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02282155

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2IISOLEUCINE BORONIC ACIDA,P1P040.79
B2IISOLEUCINE BORONIC ACIDE,I5EST0.79
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.78
LYTBUTYLAMINEA1EAG0.76
AMLAMYLAMINEA1JIR0.84
EPI4-ETHYLPIPERIDINEH,I1FPC0.71
2MHcis-4-methylcyclohexanamineA,B,C2PT90.78
16DHEXANE-1,6-DIAMINEA,B,C2QK90.71
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.71
LEN3-METHYLBUTAN-1-AMINEA1PE50.88
LEN3-METHYLBUTAN-1-AMINEA1PE70.88
LEN3-METHYLBUTAN-1-AMINEA1PE80.88
N2PPENTANE-1,5-DIAMINEA,B2OO00.77
N2PPENTANE-1,5-DIAMINEA,B1H3M0.77
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.77
BLELEUCINE BORONIC ACIDA,P1GBL0.79
BLELEUCINE BORONIC ACIDA,P9LPR0.79
BLELEUCINE BORONIC ACIDA,P7LPR0.79
BLELEUCINE BORONIC ACIDA,P1GBC0.79
BLELEUCINE BORONIC ACIDA,P1GBH0.79
B2VVALINE BORONIC ACIDA,P2LPR0.71
B2VVALINE BORONIC ACIDA,P1P030.71
B2VVALINE BORONIC ACIDA,P1P100.71
B2VVALINE BORONIC ACIDA,B2H5D0.71
B2VVALINE BORONIC ACIDA,P1P010.71
AMCAMINOMETHYLCYCLOHEXANEA1TNG0.77
AMCAMINOMETHYLCYCLOHEXANEA,B1DLG0.77
BNONORLEUCINE BORONIC ACIDA,P6LPR0.75
BNONORLEUCINE BORONIC ACIDA,P3LPR0.75
BNONORLEUCINE BORONIC ACIDA,P1P050.75
DCI2-METHYL-BUTYLAMINEE,I1ENT0.88
DCI2-METHYL-BUTYLAMINEA,I1GVW0.88
DCI2-METHYL-BUTYLAMINEE1EPP0.88
DCI2-METHYL-BUTYLAMINEI4ER10.88
CHN4-AMINOMETHYL-CYCLOHEXYLAMINEA,I1D9I0.71
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.8