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BioLiP

PDB CCD ID: UNC
Number of entries in BioLiP: 9
Chemical formula: C4 H4 N4 O4
InChI: InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)
InChIKey: CLOSWQFGCBFNCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N
CACTVS 3.341NC1=C(NC(=O)NC1=O)[N+]([O-])=O
Name:5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;
5-AMINO 6-NITRO URACIL
DrugBank: DB03099
ZINC: ZINC000006452765
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)(download the PDF file).
  • 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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