BioLiP

PDB

BioLiP

PDB CCD ID:

A7H

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O S

InChI:

InChI=1S/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3

InChIKey:

PKRZJVQWLOOWHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCOc1ccc2c(c1)sc(n2)C
CACTVS 3.385	CCOc1ccc2nc(C)sc2c1

Name:

6-ethoxy-2-methyl-1,3-benzothiazole

ZINC:

ZINC000000298393

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).