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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03463150

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DCI2-METHYL-BUTYLAMINEE,I1ENT0.91
DCI2-METHYL-BUTYLAMINEA,I1GVW0.91
DCI2-METHYL-BUTYLAMINEE1EPP0.91
DCI2-METHYL-BUTYLAMINEI4ER10.91
IBN2-METHYLPROPAN-1-AMINEA,B2QDY1
LEN3-METHYLBUTAN-1-AMINEA1PE50.91
LEN3-METHYLBUTAN-1-AMINEA1PE70.91
LEN3-METHYLBUTAN-1-AMINEA1PE80.91
N2PPENTANE-1,5-DIAMINEA,B2OO00.71
N2PPENTANE-1,5-DIAMINEA,B1H3M0.71
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.71
AMLAMYLAMINEA1JIR0.78
PUT1,4-DIAMINOBUTANEA1I7B0.77
PUT1,4-DIAMINOBUTANEA,B3DZ60.77
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.77
PUT1,4-DIAMINOBUTANEA1I790.77
PUT1,4-DIAMINOBUTANEA,B2O060.77
PUT1,4-DIAMINOBUTANEA,B1JL00.77
PUT1,4-DIAMINOBUTANEA1I720.77
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.77
PUT1,4-DIAMINOBUTANEA,B3DZ40.77
PUT1,4-DIAMINOBUTANEA,B3H0W0.77
PUT1,4-DIAMINOBUTANEA,B3DZ30.77
PUT1,4-DIAMINOBUTANEA,B1MSV0.77
PUT1,4-DIAMINOBUTANEA1I7C0.77
PUT1,4-DIAMINOBUTANEA,B3DZ70.77
PUT1,4-DIAMINOBUTANEA,B3EPB0.77
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.77
PUT1,4-DIAMINOBUTANEA,B3DZ20.77
PUT1,4-DIAMINOBUTANEA,B3DZ50.77
PUT1,4-DIAMINOBUTANEA,B3EPA0.77
PUT1,4-DIAMINOBUTANEA,B3H0V0.77
B2IISOLEUCINE BORONIC ACIDA,P1P040.8
B2IISOLEUCINE BORONIC ACIDE,I5EST0.8
B2VVALINE BORONIC ACIDA,P2LPR0.87
B2VVALINE BORONIC ACIDA,P1P030.87
B2VVALINE BORONIC ACIDA,P1P100.87
B2VVALINE BORONIC ACIDA,B2H5D0.87
B2VVALINE BORONIC ACIDA,P1P010.87
LYTBUTYLAMINEA1EAG0.86
3CN3-AMINOPROPANEA,B,C,D3C0R0.85
3CN3-AMINOPROPANEB3BY40.85
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.87
NEHETHANAMINEA1YY20.75
NEHETHANAMINEA,B2IBI0.75
NPTNEOPENTYLAMINEI1IVQ0.86
BLELEUCINE BORONIC ACIDA,P1GBL0.8
BLELEUCINE BORONIC ACIDA,P9LPR0.8
BLELEUCINE BORONIC ACIDA,P7LPR0.8
BLELEUCINE BORONIC ACIDA,P1GBC0.8
BLELEUCINE BORONIC ACIDA,P1GBH0.8
13D1,3-DIAMINOPROPANEA,B2F8W0.73
NTBTERTIARY-BUTYLAMINEA,B1HXB0.73
NTBTERTIARY-BUTYLAMINEA,B2FGU0.73
NTBTERTIARY-BUTYLAMINEA,B1MTB0.73
NTBTERTIARY-BUTYLAMINEA,B2FGV0.73