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BioLiP

PDB CCD ID: 6OT
Number of entries in BioLiP: 2
Chemical formula: C6 H5 Cl2 N O2 S
InChI: InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey: AHNOVNYOUPQVRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NS(c1cc(cc(c1)Cl)Cl)(=O)=O
CACTVS 3.385N[S](=O)(=O)c1cc(Cl)cc(Cl)c1
OpenEye OEToolkits 2.0.4c1c(cc(cc1Cl)Cl)S(=O)(=O)N
Name:3,5-dichlorobenzene-1-sulfonamide
ChEMBL: CHEMBL3988825
ZINC: ZINC000000090873
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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