BioLiP

PDB

BioLiP

PDB CCD ID:

IAO

Number of entries in BioLiP:

Chemical formula:

C10 H10 N4 O2 S

InChI:

InChI=1S/C10H10N4O2S/c1-15-5-3-4-6(16-2)8-7(5)14-9(11)12-13-10(14)17-8/h3-4H,1-2H3,(H2,11,12)

InChIKey:

FSNNMBVVDWKKCB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(OC)c2n3c(N)nnc3sc12
OpenEye OEToolkits 2.0.7	COc1ccc(c2c1n3c(nnc3s2)N)OC

Name:

5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

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).