Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50566725
Substrate
n/a
Meas. Tech.
ChEMBL_2101557 (CHEMBL4809953)
Ki
4.0±n/a nM
Citation
 Manzoor, S; Petreni, A; Raza, MK; Supuran, CT; Hoda, N Novel triazole-sulfonamide bearing pyrimidine moieties with carbonic anhydrase inhibitory action: Design, synthesis, computational and enzyme inhibition studies. Bioorg Med Chem Lett 48:0 (2021) [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:
BDBM50566725
Synonyms:
CHEMBL4879177
Type:
Small organic molecule
Emp. Form.:
C25H28N8O4S
Mol. Mass.:
536.606
SMILES:
COc1ccccc1N1CCN(CC1)c1nc(C)cc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)n1
Structure:
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