SEQ2FUN

BioLiP

PDB CCD ID: HKA
Number of entries in BioLiP: 2
Chemical formula: C14 H12 O4
InChI: InChI=1S/C14H12O4/c1-17-13-9-10(14(15)16)7-8-12(13)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKey: BHLHNTNYVDUKFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(ccc1Oc2ccccc2)C(O)=O
OpenEye OEToolkits 1.9.2COc1cc(ccc1Oc2ccccc2)C(=O)O
ACDLabs 12.01O=C(O)c2cc(OC)c(Oc1ccccc1)cc2
Name:3-METHOXY-4-PHENOXYBENZOIC ACID
ChEMBL: CHEMBL392872
ZINC: ZINC000028871023
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).