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BioLiP

PDB CCD ID: Y7V
Number of entries in BioLiP: 1
Chemical formula: C6 H4 F I
InChI: InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: VSKSBSORLCDRHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cccc(I)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)I)F
Name:1-fluoranyl-3-iodanyl-benzene
ZINC: ZINC000000407029
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).
  • 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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