Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50205571
Substrate
n/a
Meas. Tech.
ChEMBL_1628395 (CHEMBL3870980)
Ki
49±n/a nM
Citation
 Esirden, I; Tanç, M; Supuran, CT; Kaya, M Microwave assisted synthesis of novel tetrazole/sulfonamide derivatives based on octahydroacridine, xanthene and chromene skeletons as inhibitors of the carbonic anhydrases isoforms I, II, IV and VII. Bioorg Med Chem Lett 27:86-89 (2017) [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:
BDBM50205571
Synonyms:
CHEMBL3967103
Type:
Small organic molecule
Emp. Form.:
C33H29N7O5S
Mol. Mass.:
635.692
SMILES:
NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22|
Structure:
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