SEQ2FUN

BioLiP

PDB CCD ID: CUQ
Number of entries in BioLiP: 2
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChIKey: ARWCZKJISXFBGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1O)C(=O)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)c2ccc(c(c2)O)O
Name:[3,4-bis(oxidanyl)phenyl]-phenyl-methanone
ChEMBL: CHEMBL2094324
ZINC: ZINC000000262158
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).