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BioLiP

PDB CCD ID: QNL
Number of entries in BioLiP: 4
Chemical formula: C16 H18 N2 O3
InChI: InChI=1S/C16H18N2O3/c1-10(2)9-21-15-7-12(8-19)18-16-13(15)5-4-6-14(16)17-11(3)20/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKey: BLUSXJLREUZROL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12
OpenEye OEToolkits 2.0.6CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O
Name:~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide
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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