SEQ2FUN

BioLiP

PDB CCD ID: P4H
Number of entries in BioLiP: 3
Chemical formula: C13 H10 O5
InChI: InChI=1S/C13H10O5/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,14-17H
InChIKey: UQQYIAVMUUJWGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(c(O)c1)C(=O)c2ccc(O)c(O)c2
OpenEye OEToolkits 2.0.7c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O
Name:[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
ChEMBL: CHEMBL3182608
ZINC: ZINC000002512313
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).