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Target
Carbonic anhydrase 2
Ligand
BDBM442718
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
12.0±n/a nM
Citation
 Di Giorgio, P; Hert, J; Hunziker, D; Mattei, P; Rudolph, M; Schmitz, P; Ullmer, C Bicyclic compounds as dual ATX/CA inhibitors US Patent  US10647719 Publication Date 5/12/2020 
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:
BDBM442718
Synonyms:
US10647719, Example 2.00 | US10647719, Example 2.01 | US10647719, Example 2.02 | US10647719, Example 2.03 | US10647719, Example 2.04
Type:
Small organic molecule
Emp. Form.:
C26H27ClN6O6S
Mol. Mass.:
587.047
SMILES:
CC(C)(C)C(=O)Nc1cc(C#N)c(Cl)cc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cn1)S(N)(=O)=O |c:23|
Structure:
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