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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201601

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0AYdiethyl [(1R)-1,5-diaminopentyl]boronateA,H1BTX0.73
PUT1,4-DIAMINOBUTANEA1I7B0.7
PUT1,4-DIAMINOBUTANEA,B3DZ60.7
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.7
PUT1,4-DIAMINOBUTANEA1I790.7
PUT1,4-DIAMINOBUTANEA,B2O060.7
PUT1,4-DIAMINOBUTANEA,B1JL00.7
PUT1,4-DIAMINOBUTANEA1I720.7
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.7
PUT1,4-DIAMINOBUTANEA,B3DZ40.7
PUT1,4-DIAMINOBUTANEA,B3H0W0.7
PUT1,4-DIAMINOBUTANEA,B3DZ30.7
PUT1,4-DIAMINOBUTANEA,B1MSV0.7
PUT1,4-DIAMINOBUTANEA1I7C0.7
PUT1,4-DIAMINOBUTANEA,B3DZ70.7
PUT1,4-DIAMINOBUTANEA,B3EPB0.7
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.7
PUT1,4-DIAMINOBUTANEA,B3DZ20.7
PUT1,4-DIAMINOBUTANEA,B3DZ50.7
PUT1,4-DIAMINOBUTANEA,B3EPA0.7
PUT1,4-DIAMINOBUTANEA,B3H0V0.7
XAP3-AMINOOXY-1-AMINOPROPANEA,B2ON30.82
XAP3-AMINOOXY-1-AMINOPROPANEA,B2OO00.82
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.81
DYB4-(1,3,2-DIOXABOROLAN-2-YLOXY)BUTAN-
1-AMINIUM
A1S840.81