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BioLiP

PDB CCD ID: VIM
Number of entries in BioLiP: 2
Chemical formula: C13 H8 Cl F O3
InChI: InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17)
InChIKey: XDDFAQWRNVXRFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)Cl)C(=O)O)Oc2ccc(cc2)F
CACTVS 3.385OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2
Name:2-chloranyl-6-(4-fluoranylphenoxy)benzoic 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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