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TargetBeta-carbonic anhydrase 1
LigandBDBM50399078
Substrate/Competitorn/a
Meas. Tech.ChEMBL_878777 (CHEMBL2183717)
Ki 412±n/a nM
Citation Marini, AMMaresca, AAggarwal, MOrlandini, ENencetti, SDa Settimo, FSalerno, SSimorini, FLa Motta, CTaliani, SNuti, EScozzafava, AMcKenna, RRossello, ASupuran, CT Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms. J Med Chem55:9619-29 (2012) [PubMed]  Article
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Beta-carbonic anhydrase 1
Name:Beta-carbonic anhydrase 1
Synonyms:β-Carbonic anhydrase 1 (CA 1) | Carbonic Anhydrase (mtCA 1) | MTCA1_MYCTU | Uncharacterized protein Rv1284/MT1322 | canA | mtcA1
Type:Enzyme
Mol. Mass.:18186.06
Organism:Mycobacterium tuberculosis
Description:The recombinant GST-mtCA1 construct was cloned, expressed, and further purified from E. coli. The purified protein was used in inhibition assays.
Residue:163
Sequence:
MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAG
CVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESY
PDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP
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BDBM50399078
n/a
NameBDBM50399078
Synonyms:CHEMBL2179307
TypeSmall organic molecule
Emp. Form.C16H12ClN3O2S2
Mol. Mass.377.868
SMILESNS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(Cl)ccc3-c12
Structure
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