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Target
Carbonic anhydrase 2
Ligand
BDBM50369880
Substrate
n/a
Meas. Tech.
ChEMBL_1737218 (CHEMBL4152968)
Ki
6.0±n/a nM
Citation
 Chiaramonte, N; Bua, S; Ferraroni, M; Nocentini, A; Bonardi, A; Bartolucci, G; Durante, M; Lucarini, L; Chiapponi, D; Dei, S; Manetti, D; Teodori, E; Gratteri, P; Masini, E; Supuran, CT; Romanelli, MN 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents. Eur J Med Chem 151:363-375 (2018) [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:
BDBM50369880
Synonyms:
CHEMBL4165548
Type:
Small organic molecule
Emp. Form.:
C19H23N3O5S2
Mol. Mass.:
437.533
SMILES:
CS(=O)(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r|
Structure:
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