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SMILES: NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

InChI Key: InChIKey=FCQDJTXNFBKMBE-WAXACMCWSA-N

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 4 hits for monomerid = 50299580   
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 1


(Homo sapiens (Human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
3.95E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50299580
PNG
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)
Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
4.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay


J Med Chem 52: 6421-32 (2009)


Article DOI: 10.1021/jm900914e
BindingDB Entry DOI: 10.7270/Q2N29XV0
More data for this
Ligand-Target Pair