SEQ2FUN

BioLiP

PDB CCD ID: 8HH
Number of entries in BioLiP: 8
Chemical formula: C13 H13 N5
InChI: InChI=1S/C13H13N5/c1-2-15-13-8-11(10-4-3-6-14-9-10)17-12-5-7-16-18(12)13/h3-9,15H,2H2,1H3
InChIKey: BFTHMXHAOYUDNL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCNc1cc(nc2ccnn12)c3cccnc3
OpenEye OEToolkits 2.0.6CCNc1cc(nc2n1ncc2)c3cccnc3
Name:~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
ChEMBL: CHEMBL4071527
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).