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BioLiP

PDB CCD ID: TQE
Number of entries in BioLiP: 1
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:
SoftwareSMILES
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, Peter L 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).

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