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BioLiP

PDB CCD ID: I7A
Number of entries in BioLiP: 1
Chemical formula: C6 H6 Cl2 N2 O4 S2
InChI: InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
InChIKey: GJQPMPFPNINLKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N
CACTVS 3.341N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
Name:4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE
ChEMBL: CHEMBL17
DrugBank: DB01144
ZINC: ZINC000000896918
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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