SEQ2FUN

BioLiP

PDB CCD ID: 7WR
Number of entries in BioLiP: 3
Chemical formula: C8 H8 O5
InChI: InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey: KWCCUYSXAYTNKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1cc(cc(c1O)O)C(=O)O
CACTVS 3.385COc1cc(cc(O)c1O)C(O)=O
Name:3-methoxy-4,5-bis(oxidanyl)benzoic acid
ChEMBL: CHEMBL5283256
ZINC: ZINC000000895819
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).