BioLiP

PDB

BioLiP

PDB CCD ID:

FQV

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O2 S Se

InChI:

InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)

InChIKey:

SYXVSYLKIVCGJW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O
CACTVS 3.385	CC#CC[Se]c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.6	CC#CC[Se]c1ccc(cc1)S(=O)(=O)N

Name:

4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide

ChEMBL:

CHEMBL4161324

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).