Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50206509
Substrate
n/a
Meas. Tech.
ChEMBL_1448691 (CHEMBL3372049)
Ki
431±n/a nM
Citation
 D'Ascenzio, M; Carradori, S; Secci, D; Vullo, D; Ceruso, M; Akdemir, A; Supuran, CT Selective inhibition of human carbonic anhydrases by novel amide derivatives of probenecid: synthesis, biological evaluation and molecular modelling studies. Bioorg Med Chem 22:3982-8 (2014) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
Inhibitor
Name:
BDBM50206509
Synonyms:
4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfamoyl-benzoic acid anion | 4-Dipropylsulfamoyl-benzoic acid(probenecid) | Benemid | CHEMBL897 | PROBENECID | Probalan
Type:
Small organic molecule
Emp. Form.:
C13H19NO4S
Mol. Mass.:
285.359
SMILES:
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Structure:
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