BioLiP

PDB

BioLiP

PDB CCD ID:

9SB

Number of entries in BioLiP:

Chemical formula:

C2 H5 Br O3 S

InChI:

InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

InChIKey:

OQFSYHWITGFERZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CBr)S(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)CCBr

Name:

2-bromanylethanesulfonic acid

ZINC:

ZINC000004261812

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).