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BioLiP Library

PDB CCD ID: 6OR
Number of entries in BioLiP: 2
Chemical formula: C6 H4 Cl2 O4 S
InChI: InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)
InChIKey: PGDCAFRJYQICAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O
ACDLabs 12.01c1c(c(c(cc1S(O)(=O)=O)Cl)O)Cl
OpenEye OEToolkits 2.0.4c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O
Name:3,5-dichloro-4-hydroxybenzene-1-sulfonic acid
ZINC: ZINC000001737176
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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