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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217242

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
1MRN-METHYLANILINEX2OTZ0.75
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.72
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
34A3,4-DIMETHYLANILINEA1L4K0.77
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.7
271N-methyl-1-phenylmethanamineX2RBT0.76
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.71
A8BA1ODC0.7
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.75
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.79
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.79
264(phenylamino)acetonitrileA2RBN0.77
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71