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BioLiP

PDB CCD ID: WQV
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Br N2 O2
InChI: InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)
InChIKey: DZPXAAPHBCJNCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1C(=O)C(NC(=O)C)=CC(=C1)Br
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)NC1=CC(=CNC1=O)Br
Name:N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
ZINC: ZINC000067936997
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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