BioLiP

PDB

BioLiP

PDB CCD ID:

QOK

Number of entries in BioLiP:

Chemical formula:

C11 H16 N4 O4

InChI:

InChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3

InChIKey:

BSIZPWZVMIVPIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C
CACTVS 3.385	COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12

Name:

7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione

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).