BioLiP

PDB

BioLiP

PDB CCD ID:

CVT

Number of entries in BioLiP:

Chemical formula:

C21 H20 N2 O4

InChI:

InChI=1S/C21H20N2O4/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)23-22-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-13H,1-3H3,(H,23,24)/b22-13+

InChIKey:

MMNQIKXMVWECIH-LPYMAVHISA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(cc(OC)c1OC)C(=O)NN=Cc2cccc3ccccc23
OpenEye OEToolkits 2.0.6	COc1cc(cc(c1OC)OC)C(=O)NN=Cc2cccc3c2cccc3
CACTVS 3.385	COc1cc(cc(OC)c1OC)C(=O)N\N=C\c2cccc3ccccc23
OpenEye OEToolkits 2.0.6	COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3

Name:

3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide

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).