SEQ2FUN

BioLiP

PDB CCD ID: ANN
Number of entries in BioLiP: 29
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C(=O)O
ACDLabs 10.04O=C(O)c1ccc(OC)cc1
Name:4-METHOXYBENZOIC ACID;
P-ANISIC ACID
ChEMBL: CHEMBL21932
DrugBank: DB02795
ZINC: ZINC000000332748
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).