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BioLiP

PDB CCD ID: WBU
Number of entries in BioLiP: 8
Chemical formula: C4 H5 N3 O2
InChI: InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKey: BISHACNKZIBDFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)N
CACTVS 3.341NC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(N)=CNC(=O)N1
Name:5-AMINO-1H-PYRIMIDINE-2,4-DIONE
ChEMBL: CHEMBL1236704
DrugBank: DB03792
ZINC: ZINC000001236370
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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