BioLiP

PDB

BioLiP

PDB CCD ID:

A1AAE

Number of entries in BioLiP:

Chemical formula:

C14 H16 N6

InChI:

InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)

InChIKey:

ZZRQLAUQECWGOR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cn1cncc1c1nc(N)c2cnc(NCC)cc2c1
CACTVS 3.385	CCNc1cc2cc(nc(N)c2cn1)c3cncn3C
OpenEye OEToolkits 2.0.7	CCNc1cc2cc(nc(c2cn1)N)c3cncn3C

Name:

(3M)-N~6~-ethyl-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).