SEQ2FUN

BioLiP

PDB CCD ID: BO7
Number of entries in BioLiP: 0
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey: MBIZFBDREVRUHY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1COc1cccc(c1C(=O)O)OC
CACTVS 3.352COc1cccc(OC)c1C(O)=O
Name:2,6-DIMETHOXYBENZOIC ACID
ChEMBL: CHEMBL488609
ZINC: ZINC000000388567
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).