SEQ2FUN

BioLiP

PDB CCD ID: EJZ
Number of entries in BioLiP: 2
Chemical formula: C5 H3 N3 O6
InChI: InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)
InChIKey: OPGJGRWULGFTOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]
ACDLabs 12.01O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O
CACTVS 3.370OC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O
Name:5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;
5 Nitroorotic Acid
ChEMBL: CHEMBL1614935
ZINC: ZINC000004261830
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).