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BioLiP

PDB CCD ID: FJ4
Number of entries in BioLiP: 1
Chemical formula: C15 H13 Cl O4
InChI: InChI=1S/C15H13ClO4/c1-20-10-4-2-9(3-5-10)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3
InChIKey: JBCBFFFUINBPCU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1
OpenEye OEToolkits 1.7.6COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl
ACDLabs 12.01Clc1cc(c(O)cc1O)C(=O)Cc2ccc(OC)cc2
Name:1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
ZINC: ZINC000034442025
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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