SEQ2FUN

BioLiP

PDB CCD ID: 9QC
Number of entries in BioLiP: 0
Chemical formula: C4 H4 N6 O
InChI: InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)
InChIKey: LPXQRXLUHJKZIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c12c([nH]nn1)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2[nH]nnc2C(=O)N1
Name:5-azanyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
ChEMBL: CHEMBL374107
DrugBank: DB01667
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).