BioLiP

PDB

BioLiP

PDB CCD ID:

ZLJ

Number of entries in BioLiP:

Chemical formula:

C2 H5 Cl O3 S

InChI:

InChI=1S/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)

InChIKey:

FXKMTSIKHBYZSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	ClCCS(=O)(=O)O
OpenEye OEToolkits 2.0.7	C(CCl)S(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)CCCl

Name:

2-chloroethane-1-sulfonic acid

ZINC:

ZINC000004261819

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).