BioLiP

PDB

BioLiP

PDB CCD ID:

X0W

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O2 S

InChI:

InChI=1S/C10H11NO2S/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6/h4-5H,1-3H3

InChIKey:

SOWIEKUNTPLSOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	Cc1nc2cc(c(cc2s1)OC)OC
CACTVS 3.352	COc1cc2sc(C)nc2cc1OC
ACDLabs 10.04	n1c2cc(OC)c(OC)cc2sc1C

Name:

5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIAZOLE

ZINC:

ZINC000001786835

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).