SEQ2FUN

BioLiP

PDB CCD ID: B53
Number of entries in BioLiP: 2
Chemical formula: C4 H5 N5 O2
InChI: InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
InChIKey: HVMRLFSFHWCUCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1C(N=O)=C(N=C(N)N1)N
CACTVS 3.341NC1=NC(=C(N=O)C(=O)N1)N
OpenEye OEToolkits 1.5.0C1(=C(N=C(NC1=O)N)N)N=O
Name:2,6-diamino-5-nitrosopyrimidin-4(3H)-one
ChEMBL: CHEMBL291324
ZINC: ZINC000018038301
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).