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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03063232

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
264(phenylamino)acetonitrileA2RBN0.81
34A3,4-DIMETHYLANILINEA1L4K0.77
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
271N-methyl-1-phenylmethanamineX2RBT0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
1MRN-METHYLANILINEX2OTZ0.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.88
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.72
A8BA1ODC0.76