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BioLiP

PDB CCD ID: 7LU
Number of entries in BioLiP: 2
Chemical formula: C15 H9 Cl O5
InChI: InChI=1S/C15H9ClO5/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,17-19H
InChIKey: OYAMKEPRYMXRQW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1O)C2=CC(=O)c3c(O)cc(Cl)cc3O2
OpenEye OEToolkits 2.0.4c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O
Name:2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one
ZINC: ZINC000584905423
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).
  • 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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