BioLiP

PDB

BioLiP

PDB CCD ID:

FMH

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 O2 S Se

InChI:

InChI=1S/C10H9ClN2O2SSe/c11-5-9-6-13-10(17-9)7-1-3-8(4-2-7)16(12,14)15/h1-4,6H,5H2,(H2,12,14,15)

InChIKey:

UUSUUFIKTNRGKD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)c2[se]c(CCl)cn2

Name:

4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide

ChEMBL:

CHEMBL4283364

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).