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BioLiP Library

PDB CCD ID: WKY
Number of entries in BioLiP: 7
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
InChIKey: DHUDCBCQKIWLSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cnccc1NC(=O)C
CACTVS 3.385CC(=O)Nc1ccncc1C
ACDLabs 12.01c1(cnccc1NC(C)=O)C
Name:N-(3-methylpyridin-4-yl)acetamide
ZINC: ZINC000003953294
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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