BioLiP

PDB

BioLiP

PDB CCD ID:

LXF

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O3 S2

InChI:

InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21)

InChIKey:

UNUUEHGQHLOCFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3ccccc3
OpenEye OEToolkits 2.0.7	CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCCc3ccccc3
ACDLabs 12.01	O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O

Name:

N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide

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).