SEQ2FUN

BioLiP

PDB CCD ID: K8X
Number of entries in BioLiP: 1
Chemical formula: C7 H2 I4 N2
InChI: InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKey: ZUHFPYANLLWSJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1[nH]c2c(n1)c(c(c(c2I)I)I)I
CACTVS 3.352Ic1c(I)c(I)c2nc[nH]c2c1I
Name:4,5,6,7-tetraiodo-1H-benzimidazole
ChEMBL: CHEMBL595730
ZINC: ZINC000049762279
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).