BioLiP

PDB

BioLiP

PDB CCD ID:

VWK

Number of entries in BioLiP:

Chemical formula:

C22 H20 N2 O3

InChI:

InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3

InChIKey:

QIORNPOXHBDSPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)C(=O)CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N
CACTVS 3.385	CN(C)C(=O)CCOc1ccccc1Oc2cccc3cc(ccc23)C#N
ACDLabs 12.01	CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21

Name:

3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide

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).