BioLiP

PDB

BioLiP

PDB CCD ID:

TQE

Number of entries in BioLiP:

Chemical formula:

C7 H12 N4 O2

InChI:

InChI=1S/C7H12N4O2/c1-4-13-7-9-5(11(2)3)8-6(12)10-7/h4H2,1-3H3,(H,8,9,10,12)

InChIKey:

GWBDQYGLNMYNTP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCOC1=NC(=NC(=O)N1)N(C)C

Name:

4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one

ChEMBL:

CHEMBL5078947

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).