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BioLiP

PDB CCD ID: J5R
Number of entries in BioLiP: 4
Chemical formula: C14 H7 Cl O4
InChI: InChI=1S/C14H7ClO4/c15-9-2-1-3-10-12(9)13(16)8-5-4-7(14(17)18)6-11(8)19-10/h1-6H,(H,17,18)
InChIKey: HVNIYRBLTIFYAJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O
Name:8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid
ChEMBL: CHEMBL4857993
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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