SEQ2FUN

BioLiP

PDB CCD ID: AZG
Number of entries in BioLiP: 9
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 1.5.0c12c(nc(nc1O)N)nn[nH]2
ACDLabs 10.04n1c(O)c2c(nc1N)nnn2
CACTVS 3.341Nc1nc(O)c2[nH]nnc2n1
Name:5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL;
8-AZAGUANINE
ChEMBL: CHEMBL374107
DrugBank: DB01667
ZINC: ZINC000096321491
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).