BioLiP

PDB

BioLiP

PDB CCD ID:

OUZ

Number of entries in BioLiP:

Chemical formula:

C15 H24 N2 O

InChI:

InChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1

InChIKey:

VKGGANBMWGYYDB-UKRRQHHQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCNCCN1CC(OCC1C)c2ccccc2
CACTVS 3.385	CCNCCN1C[CH](OC[CH]1C)c2ccccc2
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2

Name:

~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine

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).