SEQ2FUN

BioLiP

PDB CCD ID: 71F
Number of entries in BioLiP: 2
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey: ILUJQPXNXACGAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01COc1c(C(O)=O)cccc1
CACTVS 3.385COc1ccccc1C(O)=O
OpenEye OEToolkits 2.0.5COc1ccccc1C(=O)O
Name:2-methoxybenzoic acid
ChEMBL: CHEMBL192311
ZINC: ZINC000000388432
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).