Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM442689
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
1.000±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:
BDBM442689
Synonyms:
US10647719, Example 1.00 | US10647719, Example 1.01 | US10647719, Example 1.02 | US10647719, Example 1.03 | US10647719, Example 1.04 | US10647719, Example 1.05 | US10647719, Example 1.06 | US10647719, Example 1.07 | US10647719, Example 1.08 | US10647719, Example 1.09 | US10647719, Example 1.10 | US10647719, Example 1.11 | US10647719, Example 1.12 | US10647719, Example 1.13 | US10647719, Example 1.14 | US10647719, Example 1.15 | US10647719, Example 1.16 | US10647719, Example 1.17 | US10647719, Example 1.18 | US10647719, Example 1.19 | US10647719, Example 1.20 | US10647719, Example 1.21 | US10647719, Example 1.22 | US10647719, Example 1.23 | US10647719, Example 1.24 | US10647719, Example 1.25 | US10647719, Example 1.26 | US10647719, Example 1.27 | US10647719, Example 1.28 | US10647719, Example 1.29 | US10647719, Example 1.30 | US10647719, Example 1.31 | US10647719, Example 1.32 | US10647719, Example 1.33 | US10647719, Example 1.34
Type:
Small organic molecule
Emp. Form.:
C26H28F3N5O6S
Mol. Mass.:
595.591
SMILES:
CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |c:20|
Structure:
Search PDB for entries with ligand similarity: