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BioLiP

PDB CCD ID: TWO
Number of entries in BioLiP: 4
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey: DAUAQNGYDSHRET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(OC)c(OC)cc1
CACTVS 3.370COc1ccc(cc1OC)C(O)=O
OpenEye OEToolkits 1.7.6COc1ccc(cc1OC)C(=O)O
Name:3,4-dimethoxybenzoic acid;
VERATRIC ACID
ChEMBL: CHEMBL118903
ZINC: ZINC000000392017
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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