BDBM10884 (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide::Dorzolamide (DRZ)::Dorzolamide (DZA)

SMILES CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C

InChI Key InChIKey=IAVUPMFITXYVAF-UHFFFAOYSA-N

Data  293 KI  8 IC50  1 Kd

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 10884   

TargetCarbonic anhydrase 12(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataKi:  9nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 9(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataKi:  52nMAssay Description:Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM10884((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Affinity DataKi:  5.00E+4nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed