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BioLiP

PDB CCD ID: HH9
Number of entries in BioLiP: 4
Chemical formula: C14 H7 Cl O4
InChI: InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18)
InChIKey: XMSOQTUJOFAGGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O
CACTVS 3.385OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1
Name:4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid
ChEMBL: CHEMBL4851268
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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