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BioLiP

PDB CCD ID: Q7W
Number of entries in BioLiP: 2
Chemical formula: C14 H12 Cl N O Se
InChI: InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)
InChIKey: QFDPOECXODPRIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]
CACTVS 3.385Clc1cccc(CNC(=O)c2ccccc2[SeH])c1
Name:~{N}-[(3-chlorophenyl)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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