BioLiP

PDB

BioLiP

PDB CCD ID:

T9Q

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)

InChIKey:

VLAPGEODGZEQPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COCC(=O)NCc1ccccc1

Name:

N-Benzyl-2-methoxyacetamide;
2-methoxy-~{N}-(phenylmethyl)ethanamide

ZINC:

ZINC000000362817

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).