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BioLiP

PDB CCD ID: KNP
Number of entries in BioLiP: 0
Chemical formula: C8 H6 F2 O3
InChI: InChI=1S/C8H6F2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12)
InChIKey: OOTAWLNUYMHJOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)COc1c(F)cccc1F
ACDLabs 12.01O=C(O)COc1c(F)cccc1F
OpenEye OEToolkits 1.7.0c1cc(c(c(c1)F)OCC(=O)O)F
Name:(2,6-difluorophenoxy)acetic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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