Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50490453
Substrate
n/a
Meas. Tech.
ChEMBL_939169 (CHEMBL2329241)
Ki
40±n/a nM
Citation
 Long, DD; Frieman, B; Hegde, SS; Hill, CM; Jiang, L; Kintz, S; Marquess, DG; Purkey, H; Shaw, JP; Steinfeld, T; Wilson, MS; Wrench, K A multivalent approach towards linked dual-pharmacology prostaglandin F receptor agonist/carbonic anhydrase-II inhibitors for the treatment of glaucoma. Bioorg Med Chem Lett 23:939-43 (2013) [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:
BDBM50490453
Synonyms:
CHEMBL2325978
Type:
Small organic molecule
Emp. Form.:
C20H33N5O7S2
Mol. Mass.:
519.635
SMILES:
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CNCC(=O)Nc1nnc(s1)S(N)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: