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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012515

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LEN3-METHYLBUTAN-1-AMINEA1PE50.88
LEN3-METHYLBUTAN-1-AMINEA1PE70.88
LEN3-METHYLBUTAN-1-AMINEA1PE80.88
DCI2-METHYL-BUTYLAMINEE,I1ENT0.88
DCI2-METHYL-BUTYLAMINEA,I1GVW0.88
DCI2-METHYL-BUTYLAMINEE1EPP0.88
DCI2-METHYL-BUTYLAMINEI4ER10.88
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.8
B2IISOLEUCINE BORONIC ACIDA,P1P040.79
B2IISOLEUCINE BORONIC ACIDE,I5EST0.79
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
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.78
AMLAMYLAMINEA1JIR0.77
AMCAMINOMETHYLCYCLOHEXANEA1TNG0.77
AMCAMINOMETHYLCYCLOHEXANEA,B1DLG0.77
LYTBUTYLAMINEA1EAG0.76
2MHcis-4-methylcyclohexanamineA,B,C2PT90.73
EPI4-ETHYLPIPERIDINEH,I1FPC0.71
16DHEXANE-1,6-DIAMINEA,B,C2QK90.71
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.71
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
CHN4-AMINOMETHYL-CYCLOHEXYLAMINEA,I1D9I0.71
N2PPENTANE-1,5-DIAMINEA,B2OO00.7
N2PPENTANE-1,5-DIAMINEA,B1H3M0.7
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.7