BioLiP

PDB

BioLiP

PDB CCD ID:

KQK

Number of entries in BioLiP:

Chemical formula:

C12 H12 N6

InChI:

InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3

InChIKey:

IFLBFWBMAWIBBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)c1nccc(n1)c2cnn3c2cccn3
CACTVS 3.385	CN(C)c1nccc(n1)c2cnn3ncccc23

Name:

~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

ChEMBL:

CHEMBL4848254

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).