BioLiP

PDB

BioLiP

PDB CCD ID:

HMJ

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O2

InChI:

InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3

InChIKey:

GQEGJXFTHBKSKR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN(C)CCOc1ccc2c(c1)c3ccccc3o2
ACDLabs 12.01	c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3
CACTVS 3.385	CN(C)CCOc1ccc2oc3ccccc3c2c1

Name:

2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine

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).