SEQ2FUN

BioLiP

PDB CCD ID: 6X6
Number of entries in BioLiP: 0
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey: FODBVCSYJKNBLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc(C(O)=O)c1OC
OpenEye OEToolkits 2.0.5COc1cccc(c1OC)C(=O)O
Name:2,3-dimethoxybenzoic acid
ChEMBL: CHEMBL450128
ZINC: ZINC000000388566
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).