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BioLiP

PDB CCD ID: 11J
Number of entries in BioLiP: 2
Chemical formula: C19 H14 I N O
InChI: InChI=1S/C19H14INO/c20-18-12-5-4-11-17(18)19(22)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,21,22)
InChIKey: HKKUOXBTPBBQJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I
CACTVS 3.352Ic1ccccc1C(=O)Nc2cccc(c2)c3ccccc3
Name:N-biphenyl-3-yl-2-iodobenzamide
ZINC: ZINC000064746563
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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