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BDBM11933 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE::4-hydroxy-2-(4-methoxyphenyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::AL5424

SMILES: COc1ccc(cc1)N1CC(O)c2cc(sc2S1(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=ZWTSOJQGEWPWGO-UHFFFAOYNA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11933   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11933
PNG
(3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIEN...)
Show SMILES COc1ccc(cc1)N1CC(O)c2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/an/a 0.160n/an/an/a7.437



University of Pennsylvania



Assay Description
The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)