BioLiP

PDB

BioLiP

PDB CCD ID:

HGQ

Number of entries in BioLiP:

Chemical formula:

C5 H4 Br N O

InChI:

InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)

InChIKey:

SSLMGOKTIUIZLY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1=CNC(=O)C=C1Br
CACTVS 3.385	BrC1=CC(=O)NC=C1

Name:

4-bromanyl-1~{H}-pyridin-2-one

ZINC:

ZINC000005037781

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).