SEQ2FUN

BioLiP

PDB CCD ID: AEY
Number of entries in BioLiP: 3
Chemical formula: C11 H10 N6 O
InChI: InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)
InChIKey: ZHTBAYPUCDCQPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccccc1COc2nc(N)nc3c2nnn3
OpenEye OEToolkits 2.0.6c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3
CACTVS 3.385Nc1nc(OCc2ccccc2)c3[nH]nnc3n1
Name:7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
ChEMBL: CHEMBL333928
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).