BioLiP

PDB

BioLiP

PDB CCD ID:

JH6

Number of entries in BioLiP:

Chemical formula:

C19 H15 N5

InChI:

InChI=1S/C19H15N5/c1-13-5-2-8-17(23-13)24-19-18-15(7-4-10-21-18)16(12-22-19)14-6-3-9-20-11-14/h2-12H,1H3,(H,22,23,24)

InChIKey:

PTTACYKBFLIGQP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1cccc(n1)Nc1ncc(c2cccnc21)c1cccnc1
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4
CACTVS 3.385	Cc1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1

Name:

N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-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).