BioLiP

PDB

BioLiP

PDB CCD ID:

WBB

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11-13-2/h3-6H,7H2,1-2H3,(H,11,12)

InChIKey:

MUOXRMCJWFCWQP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CONC(=O)Cc1ccccc1C
OpenEye OEToolkits 2.0.7	Cc1ccccc1CC(=O)NOC
ACDLabs 12.01	O=C(Cc1ccccc1C)NOC

Name:

N-methoxy-2-(2-methylphenyl)acetamide

ZINC:

ZINC000040017415

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).