SEQ2FUN

BioLiP

PDB CCD ID: 6Y3
Number of entries in BioLiP: 4
Chemical formula: C13 H12 N2 O Se
InChI: InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)
InChIKey: MAEAMJWLVXANNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(NC(=O)c2ccccc2[SeH])cc1
OpenEye OEToolkits 2.0.5c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]
Name:~{N}-(4-aminophenyl)-2-selanyl-benzamide;
amino-ebselen (open form)
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).