BioLiP

PDB

BioLiP

PDB CCD ID:

ZGQ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O

InChI:

InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12)

InChIKey:

IEDUYFDGPFWNLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CC(=O)NCc1ccccc1C
OpenEye OEToolkits 2.0.7	Cc1ccccc1CNC(=O)C

Name:

N-[(2-methylphenyl)methyl]acetamide

ZINC:

ZINC000020238697

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).