Reaction Details  Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM4703
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
484±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:
BDBM4703
Synonyms:
4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic acid | Benzoic Acid deriv. 31 | CHEMBL414 | JMC522226 Compound 22 | JMC523116 Compound 22 | JMC52646 Compound 23 | aromatic/heteroaromatic sulfonamide 23
Type:
Small organic molecule
Emp. Form.:
C7H7NO4S
Mol. Mass.:
201.2
SMILES:
NS(=O)(=O)c1ccc(cc1)C(O)=O
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: