BioLiP

PDB

BioLiP

PDB CCD ID:

BRM

Number of entries in BioLiP:

Chemical formula:

C2 H3 Br O2

InChI:

InChI=1/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/f/h4H

InChIKey:

KDPAWGWELVVRCH-JLSKMEETCD

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)CBr
OpenEye OEToolkits 1.5.0	C(C(=O)O)Br
ACDLabs 10.04	BrCC(=O)O

Name:

2-BROMOACETYL GROUP

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).