BioLiP

PDB

BioLiP

PDB CCD ID:

QBK

Number of entries in BioLiP:

Chemical formula:

C5 H2 N4 O2 S

InChI:

InChI=1S/C5H2N4O2S/c6-4-8-2(10)1-3(9-4)12-5(11)7-1/h(H2,6,8,10)

InChIKey:

AXABAVYDNQCEBU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C12=NC(=O)SC1=NC(=NC2=O)N
CACTVS 3.385	NC1=NC(=O)C2=NC(=O)SC2=N1

Name:

5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione

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).