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BioLiP

PDB CCD ID: LQW
Number of entries in BioLiP: 15
Chemical formula: C14 H12 Cl N O Se
InChI: InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17)
InChIKey: ZZXRGWYKGIZVNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]
CACTVS 3.385Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1
Name:~{N}-[(4-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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