SEQ2FUN

BioLiP

PDB CCD ID: 5NU
Number of entries in BioLiP: 6
Chemical formula: C4 H3 N3 O4
InChI: InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)
InChIKey: TUARVSWVPPVUGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]
ACDLabs 12.01O=C1C([N+]([O-])=O)=CNC(=O)N1
CACTVS 3.370[O-][N+](=O)C1=CNC(=O)NC1=O
Name:5-nitrouracil
ChEMBL: CHEMBL323780
ZINC: ZINC000000967347
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).