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BioLiP

PDB CCD ID: BTY
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N5 O
InChI: InChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12)
InChIKey: AIOHMASJJVGZOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2n(n1)C(=NC(=O)N2)N
ACDLabs 10.04O=C1N=C(n2nc(cc2N1)C)N
CACTVS 3.341Cc1cc2NC(=O)N=C(N)n2n1
Name:4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one
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).
  • 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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