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Target
Carbonic anhydrase
Ligand
BDBM10884
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
8.3±n/a
Temperature
293.15±n/a K
Ki
137±n/a nM
Citation
 Nishimori, I; Minakuchi, T; Vullo, D; Scozzafava, A; Innocenti, A; Supuran, CT Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. J Med Chem 52:3116-20 (2009) [PubMed]  Article 
Target
Name:
Carbonic anhydrase
Synonyms:
Carbonic Anhydrase (mtCA 3) | Probable transmembrane carbonic anhydrase
Type:
Enzyme
Mol. Mass.:
69636.39
Organism:
Mycobacterium tuberculosis
Description:
R4ML78
Residue:
655
Sequence:
MTIAAGALQIVFGLSRMARAALAIAPVVVHAMLAGIGITIALQQIHVLLGGTSHSSAWRNIVALPDGILHHELHEVIVGGTVIAILLMWSKLPAKVRIIPGPLVAIAGATVLALLPVLQTERIDLQGNFFDAIGLPKLAEMSPGGQPWSHEISAIALGVLTIALIASVESLLSAVGVDKLHHGPRTDFNREMVGQGSANVVSGLLGGLPITGVIVRSSANVAAGARTRMSTILHGVWILLFASLFTNLVELIPKAALAGLLIVIGAQLVKLAHIKLAWRTGNFVIYAITIVCVVFLNLLEGVAIGLVVAIVFLLVRVVRAPVEVKPVGGEQSKRWRVDIDGTLSFLLLPRLTTVLSKLPEGSEVTLNLNADYIDDSVSEAISDWRRAHETRGGVVAIVETSPAKLHHAHARPPKSHFASDPIGLVPWRSARGKDRGSASVLDRIDEYHRNGAAVLHPHIAGLTDSQDPYELFLTCADSRILPNVITASGPGDLYTVRNLGNLVPTDPDDRSVDAALDFAVNQLGVSSVVVCGHSSCAAMTALLEDDPANTTTPMMRWLENAHDSLVVFRNHHPARRSAESAGYPEADQLSIVNVAVQVERLTRHPILATAVAAADLQVIGIFFDISTARVYEVGPNGIICPDEPADRPVDHESAQ
  
Inhibitor
Name:
BDBM10884
Synonyms:
(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide | Dorzolamide (DRZ) | Dorzolamide (DZA)
Type:
Small organic molecule
Emp. Form.:
C10H16N2O4S3
Mol. Mass.:
324.44
SMILES:
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
Search PDB for entries with ligand similarity: