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BioLiP

PDB CCD ID: NK5
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N4 O2
InChI: InChI=1S/C9H8N4O2/c14-9(11-15)8-6-13(12-10-8)7-4-2-1-3-5-7/h1-6,15H,(H,11,14)
InChIKey: ALZYWLPUOFGSEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2cc(nn2)C(=O)NO
CACTVS 3.385ONC(=O)c1cn(nn1)c2ccccc2
Name:~{N}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide
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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