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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02338114

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
26CA,B2F7I0.83
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.8
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.77
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.71
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.81
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7