BioLiP

PDB

BioLiP

PDB CCD ID:

V3U

Number of entries in BioLiP:

Chemical formula:

C8 H10 Br N O2

InChI:

InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3

InChIKey:

DIGIWFMOFFHOCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COCCN1C=CC(=CC1=O)Br

Name:

4-bromanyl-1-(2-methoxyethyl)pyridin-2-one

ZINC:

ZINC000255187404

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).