SEQ2FUN

BioLiP

PDB CCD ID: A1I8E
Number of entries in BioLiP: 2
Chemical formula: C7 H5 I N2
InChI: InChI=1S/C7H5IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey: CYMDPTJBUBTWEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c[nH]c2c1cc(cn2)I
CACTVS 3.385Ic1cnc2[nH]ccc2c1
Name:5-iodanyl-1~{H}-pyrrolo[2,3-b]pyridine
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).