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BioLiP

PDB CCD ID: 4IB
Number of entries in BioLiP: 1
Chemical formula: C15 H12 I4 O2
InChI: InChI=1S/C15H12I4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
InChIKey: ISISIYIPOKCZRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2
OpenEye OEToolkits 2.0.6CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I
Name:TETRAIODOBISPHENOLA
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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