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BioLiP

PDB CCD ID: B2E
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3 O6
InChI: InChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)
InChIKey: FFGCBWXERBBRBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=C(C(=O)NCC(O)=O)C(=O)N(C)C1=O)O
OpenEye OEToolkits 2.0.6CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O
Name:(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine
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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