BioLiP

PDB

BioLiP

PDB CCD ID:

R9S

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)

InChIKey:

AZWFNQKHHGQCET-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccccc1CC(N)=O
OpenEye OEToolkits 2.0.6	Cc1ccccc1CC(=O)N
ACDLabs 12.01	c1cc(CC(=O)N)c(C)cc1

Name:

2-(2-methylphenyl)acetamide

ZINC:

ZINC000020448008

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).