BioLiP

PDB

BioLiP

PDB CCD ID:

A1ISV

Number of entries in BioLiP:

Chemical formula:

C14 H10 N6

InChI:

InChI=1S/C14H10N6/c15-14-18-12(10-7-17-20-13(10)19-14)9-5-1-3-8-4-2-6-16-11(8)9/h1-7H,(H3,15,17,18,19,20)

InChIKey:

AQECLDMGKPHFHU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N
CACTVS 3.385	Nc1nc2[nH]ncc2c(n1)c3cccc4cccnc34

Name:

4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

ChEMBL:

CHEMBL5019909

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).