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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02671579

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
CBLCHLORAMBUCILA,B3CSJ0.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
264(phenylamino)acetonitrileA2RBN0.76
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.75
271N-methyl-1-phenylmethanamineX2RBT0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.71
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
34A3,4-DIMETHYLANILINEA1L4K0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
1MRN-METHYLANILINEX2OTZ0.76