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BioLiP

PDB CCD ID: A1AP5
Number of entries in BioLiP: 3
Chemical formula: C10 H14 N2 O2
InChI: InChI=1S/C10H14N2O2/c1-4-14-9-8(6-5-7-11-9)10(13)12(2)3/h5-7H,4H2,1-3H3
InChIKey: FXLCBVVYURBPIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1c(cccn1)C(=O)N(C)C
ACDLabs 12.01
CACTVS 3.385		CCOc1ncccc1C(=O)N(C)C
Name:2-ethoxy-N,N-dimethylpyridine-3-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).
  • 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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