BioLiP

PDB

BioLiP

PDB CCD ID:

UQM

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O2

InChI:

InChI=1S/C10H12N2O2/c1-7(13)12-9-4-2-8(3-5-9)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)

InChIKey:

LYRQZGCDFPVILB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(Cc1ccc(NC(C)=O)cc1)=O
CACTVS 3.385	CC(=O)Nc1ccc(CC(N)=O)cc1
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)CC(=O)N

Name:

N-[4-(2-amino-2-oxoethyl)phenyl]acetamide

ZINC:

ZINC000013715694

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).