BioLiP

PDB

BioLiP

PDB CCD ID:

A1H88

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O S

InChI:

InChI=1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9)

InChIKey:

VLNVTNUTGNBNBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc2cc(O)ccc2n1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)sc(n2)N

Name:

2-amino-1,3-benzothiazol-6-ol;
2-azanyl-1,3-benzothiazol-6-ol;
2-Amino-6-hydroxybenzothiazole

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).