BioLiP

PDB

BioLiP

PDB CCD ID:

ZEK

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O2

InChI:

InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)

InChIKey:

FLRVBCQOMWVNPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(C)Nc1cc(ccc1)C(=O)NC
CACTVS 3.385	CNC(=O)c1cccc(NC(C)=O)c1
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cccc(c1)C(=O)NC

Name:

3-acetamido-N-methylbenzamide

ZINC:

ZINC000013630571

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).