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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03017060

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.72
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
2LP2-ALLYLPHENOLA1OV50.83
34D3,5-DIHYDROXYBENZOATEA,B2BX70.77
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.77
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.77
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.93
1NP1-NAPHTHOLX2ZVQ0.74
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.81
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.76
173BENZOYL-FORMIC ACIDA,B1SZE0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
341(3,5-difluorophenyl)methanolC3EON0.71
26CA,B2F7I0.72