SEQ2FUN

BioLiP

PDB CCD ID: QPF
Number of entries in BioLiP: 8
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c1-20-11-6-7(16)5-9-13(11)15(19)12-8(14(9)18)3-2-4-10(12)17/h2-6,16-17H,1H3
InChIKey: MKPXKUVNBNOJOI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1cc(cc2c1C(=O)c3c(cccc3O)C2=O)O
CACTVS 3.385COc1cc(O)cc2C(=O)c3cccc(O)c3C(=O)c12
Name:1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione
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).