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BioLiP

PDB CCD ID: YUS
Number of entries in BioLiP: 4
Chemical formula: C21 H20 N2 O3
InChI: InChI=1S/C21H20N2O3/c1-25-19-11-10-15(12-20(19)26-2)14-22-23-21(24)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,14H,13H2,1-2H3,(H,23,24)/b22-14+
InChIKey: MMJUJYOIYOJEPL-HYARGMPZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)C=NNC(=O)Cc2cccc3c2cccc3
CACTVS 3.385COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1OC
CACTVS 3.385COc1ccc(\C=N\NC(=O)Cc2cccc3ccccc23)cc1OC
ACDLabs 12.01COc1cc(ccc1OC)\C=N\NC(=O)Cc1cccc2ccccc21
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3
Name:N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
ChEMBL: CHEMBL5196998
ZINC: ZINC000000037521
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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