Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50264007
Substrate
n/a
Meas. Tech.
ChEMBL_642827 (CHEMBL1177457)
Ki
36±n/a nM
Citation
 Wagner, J; Avvaru, BS; Robbins, AH; Scozzafava, A; Supuran, CT; McKenna, R Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations. Bioorg Med Chem 18:4873-8 (2010) [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:
BDBM50264007
Synonyms:
CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethyl-phenyl)-2-(7-methoxy-2-oxo-2H-chromen-4-yl)-acetamide | N-(2,4-disulfamoyl-5-(trifluoromethyl)phenyl)-2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C19H16F3N3O8S2
Mol. Mass.:
535.471
SMILES:
COc1ccc2c(CC(=O)Nc3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)cc(=O)oc2c1
Structure:
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