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BioLiP

PDB CCD ID: 5CU
Number of entries in BioLiP: 8
Chemical formula: C5 H4 N2 O4
InChI: InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey: ZXYAAVBXHKCJJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C(C(=O)O)=CNC(=O)N1
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1)C(=O)O
CACTVS 3.385OC(=O)C1=CNC(=O)NC1=O
Name:2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
ChEMBL: CHEMBL1213478
ZINC: ZINC000000901606
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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