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BioLiP

PDB CCD ID: ZLJ
Number of entries in BioLiP: 1
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:
SoftwareSMILES
ACDLabs 12.01ClCCS(=O)(=O)O
OpenEye OEToolkits 2.0.7C(CCl)S(=O)(=O)O
CACTVS 3.385O[S](=O)(=O)CCCl
Name:2-chloroethane-1-sulfonic acid
ZINC: ZINC000004261819
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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