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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012756

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DCI2-METHYL-BUTYLAMINEE,I1ENT1
DCI2-METHYL-BUTYLAMINEA,I1GVW1
DCI2-METHYL-BUTYLAMINEE1EPP1
DCI2-METHYL-BUTYLAMINEI4ER11
IBN2-METHYLPROPAN-1-AMINEA,B2QDY0.91
LEN3-METHYLBUTAN-1-AMINEA1PE51
LEN3-METHYLBUTAN-1-AMINEA1PE71
LEN3-METHYLBUTAN-1-AMINEA1PE81
B2IISOLEUCINE BORONIC ACIDA,P1P040.88
B2IISOLEUCINE BORONIC ACIDE,I5EST0.88
PUT1,4-DIAMINOBUTANEA1I7B0.78
PUT1,4-DIAMINOBUTANEA,B3DZ60.78
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.78
PUT1,4-DIAMINOBUTANEA1I790.78
PUT1,4-DIAMINOBUTANEA,B2O060.78
PUT1,4-DIAMINOBUTANEA,B1JL00.78
PUT1,4-DIAMINOBUTANEA1I720.78
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.78
PUT1,4-DIAMINOBUTANEA,B3DZ40.78
PUT1,4-DIAMINOBUTANEA,B3H0W0.78
PUT1,4-DIAMINOBUTANEA,B3DZ30.78
PUT1,4-DIAMINOBUTANEA,B1MSV0.78
PUT1,4-DIAMINOBUTANEA1I7C0.78
PUT1,4-DIAMINOBUTANEA,B3DZ70.78
PUT1,4-DIAMINOBUTANEA,B3EPB0.78
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.78
PUT1,4-DIAMINOBUTANEA,B3DZ20.78
PUT1,4-DIAMINOBUTANEA,B3DZ50.78
PUT1,4-DIAMINOBUTANEA,B3EPA0.78
PUT1,4-DIAMINOBUTANEA,B3H0V0.78
N2PPENTANE-1,5-DIAMINEA,B2OO00.72
N2PPENTANE-1,5-DIAMINEA,B1H3M0.72
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.72
BLELEUCINE BORONIC ACIDA,P1GBL0.88
BLELEUCINE BORONIC ACIDA,P9LPR0.88
BLELEUCINE BORONIC ACIDA,P7LPR0.88
BLELEUCINE BORONIC ACIDA,P1GBC0.88
BLELEUCINE BORONIC ACIDA,P1GBH0.88
LYTBUTYLAMINEA1EAG0.86
CDE1,2-DIMETHYL-PROPYLAMINEC1B0R0.88
B2VVALINE BORONIC ACIDA,P2LPR0.8
B2VVALINE BORONIC ACIDA,P1P030.8
B2VVALINE BORONIC ACIDA,P1P100.8
B2VVALINE BORONIC ACIDA,B2H5D0.8
B2VVALINE BORONIC ACIDA,P1P010.8
3CN3-AMINOPROPANEA,B,C,D3C0R0.77
3CN3-AMINOPROPANEB3BY40.77
NPTNEOPENTYLAMINEI1IVQ0.78
AMLAMYLAMINEA1JIR0.79
BNONORLEUCINE BORONIC ACIDA,P6LPR0.7
BNONORLEUCINE BORONIC ACIDA,P3LPR0.7
BNONORLEUCINE BORONIC ACIDA,P1P050.7