BDBM13057 CHEMBL417656::Compound 9::Cyclic Sulfate Analogue of Topiramate::RWJ-37947::[(1S,2S,6R,9S)-11,11-dimethyl-4,4-dioxo-3,5,8,10,12-pentaoxa-4-thiatricyclo[7.3.0.0^{2,6}]dodecan-9-yl]methyl sulfamate::[(3aR,5aS,8aS,8bS)-7,7-dimethyl-2,2-dioxidotetrahydro-5aH-[1,3,2]dioxathiolo[4,5-d][1,3]dioxolo[4,5-b]pyran-5a-yl]methyl sulfamate

SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1

InChI Key InChIKey=GGOAQSGCBDRTHT-JAKMQLQISA-N

Data  5 KI  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13057   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM13057(CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...)
Affinity DataKd:  10nMAssay Description:Binding affinity to human CA2 by ThermoFluor assayMore data for this Ligand-Target Pair