BioLiP

PDB

BioLiP

PDB CCD ID:

YUS

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1OC)C=NNC(=O)Cc2cccc3c2cccc3
CACTVS 3.385	COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1OC
CACTVS 3.385	COc1ccc(\C=N\NC(=O)Cc2cccc3ccccc23)cc1OC
ACDLabs 12.01	COc1cc(ccc1OC)\C=N\NC(=O)Cc1cccc2ccccc21
OpenEye OEToolkits 2.0.7	COc1ccc(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, Lydia 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).