Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM10862
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
8.3±n/a
Temperature
293.15±n/a K
Ki
7900±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:
BDBM10862
Synonyms:
4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-fluorobenzene-1-sulfonamide | CHEMBL6853 | aromatic/heteroaromatic sulfonamide 7 | halogenosulfanilamide deriv. 5b
Type:
Small organic molecule
Emp. Form.:
C6H7FN2O2S
Mol. Mass.:
190.195
SMILES:
Nc1ccc(cc1F)S(N)(=O)=O