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BioLiP

PDB CCD ID: WH1
Number of entries in BioLiP: 2
Chemical formula: C15 H16 N2 O
InChI: InChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
InChIKey: ODNBJUNZVHSOQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(CCc1ccccn1)C(=O)c2ccccc2
ACDLabs 12.01n1c(cccc1)CCN(C(=O)c2ccccc2)C
Name:N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
ZINC: ZINC000000859193
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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