SEQ2FUN

BioLiP

PDB CCD ID: L6X
Number of entries in BioLiP: 1
Chemical formula: C8 H8 O4
InChI: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKey: LBKFGYZQBSGRHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1O)C(=O)O
CACTVS 3.385COc1ccc(cc1O)C(O)=O
Name:4-methoxy-3-oxidanyl-benzoic acid
ChEMBL: CHEMBL88700
ZINC: ZINC000000402986
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).