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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034811

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5PV5-PHENYLVALERIC ACIDA,B2AY90.84
7912-PHENYLMALONIC ACIDA1O4P0.83
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.8
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.79
173BENZOYL-FORMIC ACIDA,B1SZE0.79
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.77
4MA4-METHYLBENZOIC ACIDA,H2HRG0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.76
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.74
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
3PL3-PHENYLPROPANALE1Y3G0.71
4FCA1YSG0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
26CA,B2F7I0.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71