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TargetBeta-carbonic anhydrase 1
LigandBDBM50258299
Substrate/Competitorn/a
Meas. Tech.ChEMBL_519733 (CHEMBL938996)
Ki 9.7±n/a nM
Citation Güzel, OMaresca, AScozzafava, ASalman, ABalaban, ATSupuran, CT Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem52:4063-7 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
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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BDBM50258299
n/a
NameBDBM50258299
Synonyms:1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | 2,4,6-trimethyl-1-(3-(perfluorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)pyridinium perchlorate | CHEMBL501294
TypeSmall organic molecule
Emp. Form.C23H18F5N4O3S
Mol. Mass.525.47
SMILESCc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)|
Structure
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