Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM10862
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
809±n/a nM
Citation
Innocenti, A; Hall, RA; Schlicker, C; Scozzafava, A; Steegborn, C; Mühlschlegel, FA; Supuran, CT Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Bioorg Med Chem 17:4503-9 (2009) [PubMed] Article
More Info.:
Target
Name:
Carbonic anhydrase
Synonyms:
Carbonic Anhydrase 2 (Can2)
Type:
Enzyme
Mol. Mass.:
26594.37
Organism:
Cryptococcus neoformans var. grubii (Filobasidiella neoformans var. grubii)
Description:
n/a
Residue:
239
Sequence:
MPFHAEPLKPSDEIDMDLGHSVAAQKFKEIREVLEGNRYWARKVTSEEPEFMAEQVKGQAPNFLWIGCADSRVPEVTIMARKPGDVFVQRNVANQFKPEDDSSQALLNYAIMNVGVTHVMVVGHTGCGGCIAAFDQPLPTEENPGGTPLVRYLEPIIRLKHSLPEGSDVNDLIKENVKMAVKNVVNSPTIQGAWEQARKGEFREVFVHGWLYDLSTGNIVDLNVTQGPHPFVDDRVPRA
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