BioLiP

PDB

BioLiP

PDB CCD ID:

A1LYK

Number of entries in BioLiP:

Chemical formula:

C17 H17 N O3

InChI:

InChI=1S/C17H17NO3/c1-18(2)9-10-20-12-7-8-16-14(11-12)17(19)13-5-3-4-6-15(13)21-16/h3-8,11H,9-10H2,1-2H3

InChIKey:

ZMRHVXPPMFZZHV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)CCOc1ccc2c(c1)C(=O)c3ccccc3O2
CACTVS 3.385	CN(C)CCOc1ccc2Oc3ccccc3C(=O)c2c1

Name:

2-[2-(dimethylamino)ethoxy]xanthen-9-one

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).