BioLiP

PDB

BioLiP

PDB CCD ID:

DXK

Number of entries in BioLiP:

Chemical formula:

C11 H10 N6

InChI:

InChI=1S/C11H10N6/c1-17-11-8(6-14-17)9(12)15-10(16-11)7-3-2-4-13-5-7/h2-6H,1H3,(H2,12,15,16)

InChIKey:

RWOFPWSZGRSDPB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ncc2c(N)nc(nc12)c3cccnc3
OpenEye OEToolkits 2.0.6	Cn1c2c(cn1)c(nc(n2)c3cccnc3)N

Name:

1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine

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).