Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50279677
Substrate
n/a
Meas. Tech.
ChEMBL_2076199 (CHEMBL4731733)
Ki
276±n/a nM
Citation
 Bonardi, A; Nocentini, A; Cadoni, R; Del Prete, S; Dumy, P; Capasso, C; Gratteri, P; Supuran, CT; Winum, JY Benzoxaboroles: New Potent Inhibitors of the Carbonic Anhydrases of the Pathogenic Bacterium  ACS Med Chem Lett 11:2277-2284 (2020) [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:
BDBM50279677
Synonyms:
CHEMBL4170654
Type:
Small organic molecule
Emp. Form.:
C16H16BClN2O3
Mol. Mass.:
330.574
SMILES:
Cc1cc(Cl)cc(CNC(=O)Nc2ccc3COB(O)c3c2)c1
Structure:
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