BioLiP

PDB

BioLiP

PDB CCD ID:

DQL

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O S2

InChI:

InChI=1S/C7H6N2OS2/c8-7-9-6-4(10)1-3(11)2-5(6)12-7/h1-2,10-11H,(H2,8,9)

InChIKey:

FNDYLLSGAMIYJM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc2c(c1O)nc(s2)N)S
CACTVS 3.385	Nc1sc2cc(S)cc(O)c2n1

Name:

2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol

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).