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BioLiP

PDB CCD ID: IBF
Number of entries in BioLiP: 2
Chemical formula: C6 F5 I
InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Fc1c(F)c(F)c(F)c(I)c1F
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1F)F)I)F)F)F
CACTVS 3.341Fc1c(F)c(F)c(I)c(F)c1F
Name:1,2,3,4,5-pentafluoro-6-iodobenzene
ZINC: ZINC000001845644
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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