Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM234346
Substrate
n/a
Meas. Tech.
Esterase Activity Assay
pH
7.4±n/a
IC50
70±n/a nM
Comments
extracted
Citation
 Kasimogullari, R; Bülbül, M; Mert, S; Güleryüz, H Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes. J Enzyme Inhib Med Chem 26:231-7 (2011) [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:
BDBM234346
Synonyms:
Diethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoyl-1,3,4-thiadiazol-2-ylcarbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)malonate (16)
Type:
Small organic molecule
Emp. Form.:
C32H28N8O8S2
Mol. Mass.:
716.744
SMILES:
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6]
Structure:
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