BioLiP

PDB

BioLiP

PDB CCD ID:

LUS

Number of entries in BioLiP:

Chemical formula:

C12 H23 N O

InChI:

InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-

InChIKey:

UXPACUHPXVTRQE-HAQNSBGRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC1CCC(CC1)N2CCOCC2
CACTVS 3.385	CC[CH]1CC[CH](CC1)N2CCOCC2
CACTVS 3.385	CC[C@H]1CC[C@@H](CC1)N2CCOCC2

Name:

4-(4-ethylcyclohexyl)morpholine

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).