Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50570991
Substrate
n/a
Meas. Tech.
ChEMBL_2113527 (CHEMBL4822377)
Ki
446±n/a nM
Citation
 Buabeng, ER; Henary, M Developments of small molecules as inhibitors for carbonic anhydrase isoforms. Bioorg Med Chem 39:0 (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:
BDBM50570991
Synonyms:
CHEMBL4878381
Type:
Small organic molecule
Emp. Form.:
C24H21N3O5S
Mol. Mass.:
463.506
SMILES:
COc1ccc(OC)c(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c1 |c:11|
Structure:
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