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BioLiP

PDB CCD ID: IJL
Number of entries in BioLiP: 1
Chemical formula: C7 H6 I N O
InChI: InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: XRNBLQCAFWFFPM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc(I)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N)I
Name:4-iodanylbenzamide
ZINC: ZINC000000567121
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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