Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50165757
Substrate
n/a
Meas. Tech.
ChEMBL_302317 (CHEMBL828905)
Ki
180±n/a nM
Citation
 Puccetti, L; Fasolis, G; Cecchi, A; Winum, JY; Gamberi, A; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating thioureido-sulfanilyl scaffolds. Bioorg Med Chem Lett 15:2359-64 (2005) [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:
BDBM50165757
Synonyms:
4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methylamino]phenylsulfonamido}-1-benzenesulfonamide | CHEMBL362989
Type:
Small organic molecule
Emp. Form.:
C19H25N5O5S3
Mol. Mass.:
499.627
SMILES:
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: