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BioLiP

PDB CCD ID: T3W
Number of entries in BioLiP: 2
Chemical formula: C12 H8 I N3 O
InChI: InChI=1S/C12H8IN3O/c13-9-3-1-8(2-4-9)10-7-16-11(15-10)5-6-14-12(16)17/h1-4,6-7H,5H2
InChIKey: JYLKLWHWBQXQPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2cn3c(n2)CC=NC3=O)I
CACTVS 3.385Ic1ccc(cc1)c2cn3C(=O)N=CCc3n2
Name:2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one
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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