BioLiP

PDB

BioLiP

PDB CCD ID:

T9Z

Number of entries in BioLiP:

Chemical formula:

C15 H18 N O2

InChI:

InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1

InChIKey:

XJKMEOFFCYJCGT-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3
CACTVS 3.385	Oc1c(C[NH+]2CCOCC2)ccc3ccccc13

Name:

2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol

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).