BioLiP

PDB

BioLiP

PDB CCD ID:

Q7W

Number of entries in BioLiP:

Chemical formula:

C14 H12 Cl N O Se

InChI:

InChI=1S/C14H12ClNOSe/c15-11-5-3-4-10(8-11)9-16-14(17)12-6-1-2-7-13(12)18/h1-8,18H,9H2,(H,16,17)

InChIKey:

QFDPOECXODPRIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]
CACTVS 3.385	Clc1cccc(CNC(=O)c2ccccc2[SeH])c1

Name:

~{N}-[(3-chlorophenyl)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).