SEQ2FUN

BioLiP

PDB CCD ID: 8NY
Number of entries in BioLiP: 1
Chemical formula: C7 H5 I N2
InChI: InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: CGCHCLICSHIAAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Ic1ccc2[nH]ncc2c1
OpenEye OEToolkits 1.7.6c1cc2c(cc1I)cn[nH]2
Name:5-iodanyl-1H-indazole
ChEMBL: CHEMBL391348
ZINC: ZINC000014983580
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).