BioLiP

PDB

BioLiP

PDB CCD ID:

LXX

Number of entries in BioLiP:

Chemical formula:

C20 H13 N5

InChI:

InChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25)

InChIKey:

PYHJWHYHRSDRDJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5
CACTVS 3.352	[nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc5)c4c3

Name:

6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline

ZINC:

ZINC000051768785

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).