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BioLiP

PDB CCD ID: Q85
Number of entries in BioLiP: 3
Chemical formula: C15 H15 N O2 Se
InChI: InChI=1S/C15H15NO2Se/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H,16,17)
InChIKey: YYKTWDKCQYEMIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]
CACTVS 3.385COc1ccc(CNC(=O)c2ccccc2[SeH])cc1
Name:~{N}-[(4-methoxyphenyl)methyl]-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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