BioLiP

PDB

BioLiP

PDB CCD ID:

A1AXC

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2

InChI:

InChI=1S/C11H13NO2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2

InChIKey:

FLCWYEUDIOQXEB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(N1CCOCC1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)N2CCOCC2
ACDLabs 12.01	O=C(c1ccccc1)N1CCOCC1

Name:

(morpholin-4-yl)(phenyl)methanone

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).