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BioLiP

PDB CCD ID: UQA
Number of entries in BioLiP: 4
Chemical formula: C12 H12 N2 O3
InChI: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey: DDBREPKUVSBGFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCC1(C(=O)NC(=O)NC1=O)c2ccccc2
ACDLabs 12.01CCC1(C(NC(=O)NC1=O)=O)c2ccccc2
Name:5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione;
Phenobarbital
ChEMBL: CHEMBL40
DrugBank: DB01174
ZINC: ZINC000095588079
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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