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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02552244

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
26CA,B2F7I0.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
341(3,5-difluorophenyl)methanolC3EON0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.7
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
173BENZOYL-FORMIC ACIDA,B1SZE0.79
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.89