BioLiP

PDB

BioLiP

PDB CCD ID:

RF6

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3

InChI:

InChI=1S/C8H13N3/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11)

InChIKey:

WWRMBPPGHZDJNZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1cc(nc(n1)N)CC
CACTVS 3.385	CCc1cc(CC)nc(N)n1

Name:

4,6-diethylpyrimidin-2-amine;
4,6-bis(ethenyl)pyrimidin-2-amine (precursor);
4,6-Divinylpyrimidin-2-amine (precursor);
peptide staple

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).