BioLiP

PDB

BioLiP

PDB CCD ID:

A1IMC

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl N2 O3 S2

InChI:

InChI=1S/C13H9ClN2O3S2/c14-8-4-3-5-9-12(8)20-13(15-9)16-21(18,19)11-7-2-1-6-10(11)17/h1-7,17H,(H,15,16)

InChIKey:

BTVNNFZBSDHJFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccccc1[S](=O)(=O)Nc2sc3c(Cl)cccc3n2
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)O)S(=O)(=O)Nc2nc3cccc(c3s2)Cl

Name:

N-(7-chloro-1,3-benzothiazol-2-yl)-2-hydroxy-benzenesulfonamide

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).