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BioLiP

PDB CCD ID: QBK
Number of entries in BioLiP: 24
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C12=NC(=O)SC1=NC(=NC2=O)N
CACTVS 3.385NC1=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, Peter L 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).

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