SEQ2FUN

BioLiP

PDB CCD ID: FHI
Number of entries in BioLiP: 1
Chemical formula: C13 H7 F2 I O3
InChI: InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19)
InChIKey: SSYOLLIRAAWGDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O
ACDLabs 10.04Ic2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O
CACTVS 3.341OC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F
Name:2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID;
IODODIFLUNISAL
ChEMBL: CHEMBL1232738
ZINC: ZINC000006453326
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).