BioLiP

PDB

BioLiP

PDB CCD ID:

I5F

Number of entries in BioLiP:

Chemical formula:

C8 H5 N3 O S

InChI:

InChI=1S/C8H5N3OS/c12-5-1-2-6-7(3-5)13-8-10-9-4-11(6)8/h1-4,12H

InChIKey:

IWIXTZQBCXYDRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2n3cnnc3sc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)sc3n2cnn3

Name:

[1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol

ZINC:

ZINC000026443978

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).