BioLiP

PDB

BioLiP

PDB CCD ID:

2NY

Number of entries in BioLiP:

Chemical formula:

C12 H16 N4

InChI:

InChI=1S/C12H16N4/c1-3-16(4-2)12-14-10-8-6-5-7-9(10)11(13)15-12/h5-8H,3-4H2,1-2H3,(H2,13,14,15)

InChIKey:

JJINOCDZQXZAML-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c1c(cccc1)c(nc2N(CC)CC)N
OpenEye OEToolkits 1.7.6	CCN(CC)c1nc2ccccc2c(n1)N
CACTVS 3.385	CCN(CC)c1nc(N)c2ccccc2n1

Name:

N~2~,N~2~-diethylquinazoline-2,4-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).