BioLiP

PDB

BioLiP

PDB CCD ID:

A1IH1

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl N2 O4 S2

InChI:

InChI=1S/C13H9ClN2O4S2/c14-9-5-6-10(18)11-12(9)21-13(15-11)16-22(19,20)8-3-1-7(17)2-4-8/h1-6,17-18H,(H,15,16)

InChIKey:

KPHGIIMQIYEPEU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1O)S(=O)(=O)Nc2nc3c(ccc(c3s2)Cl)O
CACTVS 3.385	Oc1ccc(cc1)[S](=O)(=O)Nc2sc3c(Cl)ccc(O)c3n2

Name:

N-(7-chloro-4-hydroxybenzo[d]thiazol-2-yl)-4-hydroxybenzenesulfonamide;
N-(7-chloro-4-hydroxybenzo[d]thiazol-2-yl)-4-hydroxybenzenesulfonamide

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).