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BioLiP

PDB CCD ID: A1A38
Number of entries in BioLiP: 3
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c1-7(11)10(2)8-4-3-5-9-6-8/h3-6H,1-2H3
InChIKey: DIBVGDONZMMHTK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		CN(C(C)=O)c1cccnc1
OpenEye OEToolkits 3.1.0.0CC(=O)N(C)c1cccnc1
Name:N-methyl-N-(pyridin-3-yl)acetamide
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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