BioLiP

PDB

BioLiP

PDB CCD ID:

A1AAA

Number of entries in BioLiP:

Chemical formula:

C17 H18 N8

InChI:

InChI=1S/C17H18N8/c1-10-8-25(3)23-17(10)22-15-5-11-4-13(14-7-19-9-24(14)2)21-16(18)12(11)6-20-15/h4-9H,1-3H3,(H2,18,21)(H,20,22,23)

InChIKey:

XPTAASNOZLTEFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cn1cc(C)c(Nc2ncc3c(c2)cc(nc3N)c2cncn2C)n1
OpenEye OEToolkits 2.0.7	Cc1cn(nc1Nc2cc3cc(nc(c3cn2)N)c4cncn4C)C
CACTVS 3.385	Cn1cc(C)c(Nc2cc3cc(nc(N)c3cn2)c4cncn4C)n1

Name:

(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine

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).