BioLiP

PDB

BioLiP

PDB CCD ID:

RV4

Number of entries in BioLiP:

Chemical formula:

C13 H18 N2 O2

InChI:

InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)

InChIKey:

KFRGDVNNAPFDCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(CN2CCOCC2)cc1
OpenEye OEToolkits 2.0.6	CC(=O)Nc1ccc(cc1)CN2CCOCC2
ACDLabs 12.01	N(C(C)=O)c1ccc(cc1)CN2CCOCC2

Name:

N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide

ZINC:

ZINC000019633913

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).