SEQ2FUN

BioLiP

PDB CCD ID: U2R
Number of entries in BioLiP: 2
Chemical formula: C8 H7 F O3
InChI: InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: ZBIULCVFFJJYTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)COc1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1OCC(=O)O)F
ACDLabs 12.01O=C(O)COc1ccc(F)cc1
Name:(4-fluorophenoxy)acetic acid
ChEMBL: CHEMBL3249298
ZINC: ZINC000000404253
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).