BioLiP

PDB

BioLiP

PDB CCD ID:

Q8E

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O2 Se

InChI:

InChI=1S/C14H14N2O2Se/c1-18-13-7-6-10(8-15-13)9-16-14(17)11-4-2-3-5-12(11)19/h2-8,19H,9H2,1H3,(H,16,17)

InChIKey:

SGEBTMJCWYBJSF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]
CACTVS 3.385	COc1ccc(CNC(=O)c2ccccc2[SeH])cn1

Name:

~{N}-[(6-methoxypyridin-3-yl)methyl]-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).