Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50300203
Substrate
n/a
Meas. Tech.
ChEMBL_939844 (CHEMBL2329437)
Ki
62±n/a nM
Citation
 Tars, K; Vullo, D; Kazaks, A; Leitans, J; Lends, A; Grandane, A; Zalubovskis, R; Scozzafava, A; Supuran, CT Sulfocoumarins (1,2-benzoxathiine-2,2-dioxides): a class of potent and isoform-selective inhibitors of tumor-associated carbonic anhydrases. J Med Chem 56:293-300 (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:
BDBM50300203
Synonyms:
(S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | 6-(1S-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | CHEMBL572366
Type:
Small organic molecule
Emp. Form.:
C15H18O4
Mol. Mass.:
262.301
SMILES:
COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r|
Structure:
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