BioLiP

PDB

BioLiP

PDB CCD ID:

A1AUT

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl2 N2 O3 S2

InChI:

InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3

InChIKey:

DGNXLFRZMYASGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl
OpenEye OEToolkits 2.0.7	Cc1nc2cc(c(cc2s1)NS(=O)(=O)c3cccc(c3O)Cl)Cl
CACTVS 3.385	Cc1sc2cc(N[S](=O)(=O)c3cccc(Cl)c3O)c(Cl)cc2n1

Name:

3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide

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).