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BioLiP

PDB CCD ID: Q8H
Number of entries in BioLiP: 4
Chemical formula: C13 H12 N2 O Se
InChI: InChI=1S/C13H12N2OSe/c16-13(11-5-1-2-6-12(11)17)15-9-10-4-3-7-14-8-10/h1-8,17H,9H2,(H,15,16)
InChIKey: JMKKHOHSFFBFIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[SeH]c1ccccc1C(=O)NCc2cccnc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]
Name:~{N}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
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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