Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM10872
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
624±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 
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:
BDBM10872
Synonyms:
4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide | CHEMBL7146 | aromatic/heteroaromatic sulfonamide 17
Type:
Small organic molecule
Emp. Form.:
C14H17N3O4S2
Mol. Mass.:
355.432
SMILES:
Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Structure:
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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: