Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50588851
Substrate
n/a
Meas. Tech.
ChEMBL_2191905 (CHEMBL5104265)
Ki
0.089000±n/a nM
Citation
 Kumar, S; Rulhania, S; Jaswal, S; Monga, V Recent advances in the medicinal chemistry of carbonic anhydrase inhibitors. Eur J Med Chem 209:0 (2021) [PubMed] 
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:
BDBM50588851
Synonyms:
CHEMBL5185501
Type:
Small organic molecule
Emp. Form.:
C22H23N3O5S2
Mol. Mass.:
473.565
SMILES:
COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1OC |c:8|
Structure:
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