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BioLiP

PDB CCD ID: NX0
Number of entries in BioLiP: 2
Chemical formula: C10 H12 N2 O2
InChI: InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
InChIKey: CLJYSIDDPHCCHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC(=O)N1CCOc2ncccc12
OpenEye OEToolkits 3.1.0.0CCC(=O)N1CCOc2c1cccn2
Name:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one;
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
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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