BioLiP

PDB

BioLiP

PDB CCD ID:

IAW

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 O S

InChI:

InChI=1S/C9H7N3OS/c1-13-6-2-3-7-8(4-6)14-9-11-10-5-12(7)9/h2-5H,1H3

InChIKey:

VBZWNZIFSFRMTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2n3cnnc3sc2c1
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)sc3n2cnn3

Name:

6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

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).