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BioLiP Library

PDB CCD ID: VW7
Number of entries in BioLiP: 5
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKey: RYRDUZSMONMBBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(C)c2NCCCc12
ACDLabs 12.01N(c2ccc(C)c1NCCCc12)C(C)=O
OpenEye OEToolkits 2.0.7Cc1ccc(c2c1NCCC2)NC(=O)C
Name:N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
ZINC: ZINC000095347520
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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