BioLiP

PDB

BioLiP

PDB CCD ID:

UIS

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O

InChI:

InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)

InChIKey:

FPUKYOSOAAPHTN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCN(CC)c1cccc(c1)NC(=O)C
CACTVS 3.385	CCN(CC)c1cccc(NC(C)=O)c1

Name:

N-[3-(diethylamino)phenyl]ethanamide

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).