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BioLiP

PDB CCD ID: SZY
Number of entries in BioLiP: 6
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)
InChIKey: WRPYDRDMRXJIJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cnccc1C
ACDLabs 12.01c1(ccncc1NC(C)=O)C
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C
Name:N-(4-methylpyridin-3-yl)acetamide
ZINC: ZINC000022200301
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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