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BDBM11929 2-N-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide::AL5917::THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)

SMILES: Cc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1

InChI Key: InChIKey=GUNRMHMEAWSZQE-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches 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 = 11929   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM11929
PNG
(2-N-[(4-methylphenyl)methyl]thiophene-2,5-disulfon...)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H14N2O4S3/c1-9-2-4-10(5-3-9)8-14-21(17,18)12-7-6-11(19-12)20(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
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Similars

PDB
Article
PubMed
n/an/an/a 0.460n/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...


Protein Sci 7: 2483-9 (1998)

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