SEQ2FUN

BioLiP

PDB CCD ID: HHQ
Number of entries in BioLiP: 8
Chemical formula: C5 H4 I N O
InChI: InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
InChIKey: GRVSGGNZRNHMQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C(=CC=NC1=O)I
CACTVS 3.385IC1=CC=NC(=O)C1
Name:4-iodanyl-3~{H}-pyridin-2-one
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).