Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50568414
Substrate
n/a
Meas. Tech.
ChEMBL_2105291 (CHEMBL4813794)
Ki
1.2±n/a nM
Citation
 Mancuso, F; Di Fiore, A; De Luca, L; Angeli, A; De Simone, G; Supuran, CT; Gitto, R Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII. Bioorg Med Chem 44:0 (2021) [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:
BDBM50568414
Synonyms:
CHEMBL4869570
Type:
Small organic molecule
Emp. Form.:
C16H16ClN3O4S2
Mol. Mass.:
413.899
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(Cl)s1
Structure:
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