SEQ2FUN

BioLiP

PDB CCD ID: VJJ
Number of entries in BioLiP: 2
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey: NXTDJHZGHOFSQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)c1cccc(Oc2ccccc2)c1
ACDLabs 12.01O=C(O)c2cc(Oc1ccccc1)ccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)Oc2cccc(c2)C(=O)O
Name:3-phenoxybenzoic acid
ChEMBL: CHEMBL663
ZINC: ZINC000000284966
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).