Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50539849
Substrate
n/a
Meas. Tech.
ChEMBL_1979513 (CHEMBL4612648)
Ki
1.3±n/a nM
Citation
 Berrino, E; Angeli, A; Zhdanov, DD; Kiryukhina, AP; Milaneschi, A; De Luca, A; Bozdag, M; Carradori, S; Selleri, S; Bartolucci, G; Peat, TS; Ferraroni, M; Supuran, CT; Carta, F Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors. J Med Chem 63:7392-7409 (2020) [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:
BDBM50539849
Synonyms:
CHEMBL4632724
Type:
Small organic molecule
Emp. Form.:
C20H22N6O8S
Mol. Mass.:
506.489
SMILES:
Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r|
Structure:
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