SEQ2FUN

BioLiP

PDB CCD ID: KQW
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N6
InChI: InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3
InChIKey: OAIXSJCARVACKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C1CC1)c2nccc(n2)c3cnn4ncccc34
OpenEye OEToolkits 2.0.7CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4
Name:~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
ChEMBL: CHEMBL4848696
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).