BioLiP

PDB

BioLiP

PDB CCD ID:

VRQ

Number of entries in BioLiP:

Chemical formula:

C23 H19 Cl N2 O3

InChI:

InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3

InChIKey:

VMGFTWZDKNGWBB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(CCOc1cc(ccc1Oc2cccc3c2ccc(c3)C#N)Cl)C(=O)C=C
CACTVS 3.385	CN(CCOc1cc(Cl)ccc1Oc2cccc3cc(ccc23)C#N)C(=O)C=C
ACDLabs 12.01	Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1

Name:

N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide

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).