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BDBM11930 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide::AL5927::N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE

SMILES: COc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1

InChI Key: InChIKey=LRRAIRJIZOLGPR-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 = 11930   
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))
BDBM11930
PNG
(2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfo...)
Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Similars

AffyNet 
PDB
Article
PubMed
n/an/an/a 0.490n/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)