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BioLiP

PDB CCD ID: A1BFG
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c1-8(14)12-7-9-4-5-11-10(6-9)13(2)3/h4-6H,7H2,1-3H3,(H,12,14)
InChIKey: BKIVWGJUNJZCKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		CN(C)c1cc(CNC(C)=O)ccn1
OpenEye OEToolkits 3.1.0.0CC(=O)NCc1ccnc(c1)N(C)C
Name:N-{[2-(dimethylamino)pyridin-4-yl]methyl}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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