Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM10885
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
8.3±n/a
Temperature
293.15±n/a K
Ki
201±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
More Info.:
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:
BDBM10885
Synonyms:
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide | (R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-E)-1,2-thiazine-6-sulfonamide 1,1-dioxide | AL-4862 | Azopt | Brinzolamide (BRZ) | brinzolamide
Type:
Small organic molecule
Emp. Form.:
C12H21N3O5S3
Mol. Mass.:
383.507
SMILES:
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|