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BioLiP Library

PDB CCD ID: 7VJ
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N5 O2
InChI: InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
InChIKey: ISOZZGJCVBHMSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNC1=C(C(=O)NC(=N1)N)N=O
ACDLabs 12.01N(=O)C1=C(N=C(N)NC1=O)NC
CACTVS 3.385CNC1=C(N=O)C(=O)NC(=N1)N
Name:2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one;
6-METHYLAMINO-5-NITROSOISOCYTOSINE
ChEMBL: CHEMBL55866
ZINC: ZINC000017001909
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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