BioLiP

PDB

BioLiP

PDB CCD ID:

EZ1

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2 S Se

InChI:

InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)

InChIKey:

KMBXWUNECGFGKU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C=CC[Se]c1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01	c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O
CACTVS 3.385	N[S](=O)(=O)c1ccc([Se]CC=C)cc1

Name:

4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide

ChEMBL:

CHEMBL4164747

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).