SEQ2FUN

BioLiP

PDB CCD ID: HH5
Number of entries in BioLiP: 1
Chemical formula: C5 H4 I N5
InChI: InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey: CQYPNVKLVHHOSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nc(I)c2[nH]cnc2n1
OpenEye OEToolkits 2.0.6c1[nH]c2c(n1)nc(nc2I)N
Name:6-iodanyl-7~{H}-purin-2-amine
ChEMBL: CHEMBL4449374
ZINC: ZINC000006886310
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).