SEQ2FUN

BioLiP

PDB CCD ID: PJO
Number of entries in BioLiP: 2
Chemical formula: C17 H12 I2 O3
InChI: InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
InChIKey: CZCHIEJNWPNBDE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I
CACTVS 3.385CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3
Name:Benziodarone;
Amplivix;
Dilafurane
ChEMBL: CHEMBL232201
DrugBank: DB13277
ZINC: ZINC000003875456
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).