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BioLiP Library

PDB CCD ID: 8UA
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c1-7(11)10-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3,(H,10,11)
InChIKey: ACOHAEBNFWGQCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(C)=O)Cc1ccccn1
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)NCc1ccccn1
Name:N-[(pyridin-2-yl)methyl]acetamide
ChEMBL: CHEMBL3244510
ZINC: ZINC000005260754
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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