SEQ2FUN

BioLiP

PDB CCD ID: A1L37
Number of entries in BioLiP: 3
Chemical formula: C7 H3 I2 N O
InChI: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey: NRXQIUSYPAHGNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(c(c1I)O)I)C#N
CACTVS 3.385Oc1c(I)cc(cc1I)C#N
Name:ioxynil;
3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile
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).