SEQ2FUN

BioLiP

PDB CCD ID: Q7T
Number of entries in BioLiP: 2
Chemical formula: C14 H13 N O Se
InChI: InChI=1S/C14H13NOSe/c16-14(12-8-4-5-9-13(12)17)15-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,15,16)
InChIKey: RSKAHKHYVHVHKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC(=O)c2ccccc2[SeH]
CACTVS 3.385[SeH]c1ccccc1C(=O)NCc2ccccc2
Name:~{N}-(phenylmethyl)-2-selanyl-benzamide
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).