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BioLiP

PDB CCD ID: X7F
Number of entries in BioLiP: 1
Chemical formula: C10 H6 O4
InChI: InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
InChIKey: RQNVIKXOOKXAJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2c(c1O)C(=O)C=CC2=O)O
CACTVS 3.385Oc1ccc(O)c2C(=O)C=CC(=O)c12
Name:5,8-bis(oxidanyl)naphthalene-1,4-dione
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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