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BioLiP Library

PDB CCD ID: JV8
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N2 O2
InChI: InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
InChIKey: PEVCERQGPZRIFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
Name:~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
ChEMBL: CHEMBL4441123
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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