BioLiP

PDB

BioLiP

PDB CCD ID:

JBZ

Number of entries in BioLiP:

Chemical formula:

C9 H7 N O3 S

InChI:

InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)

InChIKey:

JDKMYJZEGZZJOH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2nc(sc2c1)C(O)=O
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)sc(n2)C(=O)O

Name:

6-methoxy-1,3-benzothiazole-2-carboxylic acid

ZINC:

ZINC000000340142

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).