SEQ2FUN

BioLiP

PDB CCD ID: JO4
Number of entries in BioLiP: 3
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
InChIKey: RYAQFHLUEMJOMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccc(cc2)C(=O)O
CACTVS 3.385OC(=O)c1ccc(Oc2ccccc2)cc1
ACDLabs 12.01c1ccccc1Oc2ccc(C(=O)O)cc2
Name:4-phenoxybenzoic acid
ChEMBL: CHEMBL107518
ZINC: ZINC000000060939
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).