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BioLiP

PDB CCD ID: BSZ
Number of entries in BioLiP: 0
Chemical formula: C7 H7 Cl O4 S
InChI: InChI=1S/C7H7ClO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H,9,10,11)
InChIKey: ZHGMKNONEQMBRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc(ccc1OC)S(=O)(=O)O
CACTVS 3.370COc1ccc(cc1Cl)[S](O)(=O)=O
OpenEye OEToolkits 1.7.2COc1ccc(cc1Cl)S(=O)(=O)O
Name:3-chloro-4-methoxybenzenesulfonic acid
ZINC: ZINC000033748314
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)(download the PDF file).
  • 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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