Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50585413
Substrate
n/a
Meas. Tech.
ChEMBL_2162454 (CHEMBL5047315)
Ki
5.4±n/a nM
Citation
 Krymov, SK; Scherbakov, AM; Salnikova, DI; Sorokin, DV; Dezhenkova, LG; Ivanov, IV; Vullo, D; De Luca, V; Capasso, C; Supuran, CT; Shchekotikhin, AE Synthesis, biological evaluation, and in silico studies of potential activators of apoptosis and carbonic anhydrase inhibitors on isatin-5-sulfonamide scaffold. Eur J Med Chem 228:0 (2022) [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:
BDBM50585413
Synonyms:
CHEMBL5077323
Type:
Small organic molecule
Emp. Form.:
C15H10F2N2O4S
Mol. Mass.:
352.313
SMILES:
NS(=O)(=O)c1ccc2N(Cc3c(F)cccc3F)C(=O)C(=O)c2c1
Structure:
Search PDB for entries with ligand similarity: