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BioLiP

PDB CCD ID: IIH
Number of entries in BioLiP: 2
Chemical formula: C13 H6 Cl I2 N O2
InChI: InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H
InChIKey: VVINERCPKRFEOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O
OpenEye OEToolkits 1.7.0c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I
CACTVS 3.370Oc1c(I)cc(cc1I)c2oc3c(Cl)cccc3n2
Name:4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol;
2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole
ChEMBL: CHEMBL4075903
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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