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BioLiP

PDB CCD ID: 6Y1
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N O Se
InChI: InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17-
InChIKey: CBUMZOCCFOYBIQ-FBBPANFNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH]
CACTVS 3.385[SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3
Name:~{N}-(1-adamantyl)-2-selanyl-benzamide;
Adamantyl Ebselen (open form)
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)(download the PDF file).
  • 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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