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Target
Carbonic anhydrase 2
Ligand
BDBM50494684
Substrate
n/a
Meas. Tech.
ChEMBL_1279537 (CHEMBL3097256)
Ki
8.0±n/a nM
Citation
 Carroux, CJ; Rankin, GM; Moeker, J; Bornaghi, LF; Katneni, K; Morizzi, J; Charman, SA; Vullo, D; Supuran, CT; Poulsen, SA A prodrug approach toward cancer-related carbonic anhydrase inhibition. J Med Chem 56:9623-34 (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:
BDBM50494684
Synonyms:
CHEMBL3092811
Type:
Small organic molecule
Emp. Form.:
C34H50N4O11S
Mol. Mass.:
722.846
SMILES:
CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r|
Structure:
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