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BioLiP

PDB CCD ID: A1IH3
Number of entries in BioLiP: 0
Chemical formula: C5 H5 I N2 O2 S
InChI: InChI=1S/C5H5IN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKey: HFGWJMJTMDNNIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)c1ncc(I)cn1
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1ncc(cn1)I
Name:5-iodanyl-2-methylsulfonyl-pyrimidine
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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