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BioLiP

PDB CCD ID: A1HZ5
Number of entries in BioLiP: 0
Chemical formula: C15 H11 Cl I N O4
InChI: InChI=1S/C15H11ClINO4/c16-9-4-5-12(15(20)21)13(6-9)18-14(19)8-22-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKey: BLZUECRUYVEGBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc(I)c2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)I)OCC(=O)Nc2cc(ccc2C(=O)O)Cl
Name:4-chloranyl-2-[2-(3-iodanylphenoxy)ethanoylamino]benzoic acid
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).
  • 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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