SEQ2FUN

BioLiP

PDB CCD ID: A1BNN
Number of entries in BioLiP: 2
Chemical formula: C12 H17 N O Se
InChI: InChI=1S/C12H17NOSe/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKey: NPWVHJITGKXRDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)NC(=O)CCCCC[SeH]
CACTVS 3.385[SeH]CCCCCC(=O)Nc1ccccc1
ACDLabs 14.52O=C(Nc1ccccc1)CCCCC[SeH]
Name:N-phenyl-6-selanylhexanamide
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).