BioLiP

PDB

BioLiP

PDB CCD ID:

U78

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O

InChI:

InChI=1S/C11H15NO/c1-9-5-3-4-6-11(9)7-8-12-10(2)13/h3-6H,7-8H2,1-2H3,(H,12,13)

InChIKey:

OAMCTZZCYXDSLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccccc1CCNC(=O)C
CACTVS 3.385	CC(=O)NCCc1ccccc1C

Name:

~{N}-[2-(2-methylphenyl)ethyl]ethanamide

ZINC:

ZINC000058289717

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).