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BioLiP

PDB CCD ID: TEV
Number of entries in BioLiP: 4
Chemical formula: C6 H6 N2 O3
InChI: InChI=1S/C6H6N2O3/c1-3-2-4(5(9)10)8-6(11)7-3/h2H2,1H3,(H,9,10)
InChIKey: ZTBNONONIFESFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=NC(=O)N=C(C1)C(=O)O
ACDLabs 12.01O=C1N=C(CC(=N1)C)C(O)=O
CACTVS 3.385CC1=NC(=O)N=C(C1)C(O)=O
Name:6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
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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