Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50028543
Substrate
n/a
Meas. Tech.
ChEMBL_1438347 (CHEMBL3382410)
Ki
17±n/a nM
Citation
 Ghorab, MM; Ceruso, M; Alsaid, MS; Nissan, YM; Arafa, RK; Supuran, CT Novel sulfonamides bearing pyrrole and pyrrolopyrimidine moieties as carbonic anhydrase inhibitors: Synthesis, cytotoxic activity and molecular modeling. Eur J Med Chem 87:186-96 (2014) [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:
BDBM50028543
Synonyms:
CHEMBL3342489
Type:
Small organic molecule
Emp. Form.:
C24H17BrN6O4S2
Mol. Mass.:
597.464
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(cc1)[N+]([O-])=O)-c1ccc(Br)cc1
Structure:
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