SEQ2FUN

BioLiP

PDB CCD ID: B3I
Number of entries in BioLiP: 2
Chemical formula: C7 H3 I3 O2
InChI: InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey: ZMZGFLUUZLELNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(I)cc(I)c1I
OpenEye OEToolkits 1.5.0c1c(cc(c(c1C(=O)O)I)I)I
ACDLabs 10.04Ic1c(C(=O)O)cc(I)cc1I
Name:2,3,5-TRIIODOBENZOIC ACID
ChEMBL: CHEMBL115079
ZINC: ZINC000003860959
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).