BioLiP

PDB

BioLiP

PDB CCD ID:

WQV

Number of entries in BioLiP:

Chemical formula:

C7 H7 Br N2 O2

InChI:

InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)

InChIKey:

DZPXAAPHBCJNCQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N1C(=O)C(NC(=O)C)=CC(=C1)Br
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)NC1=CC(=CNC1=O)Br

Name:

N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide

ZINC:

ZINC000067936997

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).