Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50054652
Substrate
n/a
Meas. Tech.
ChEMBL_1453079 (CHEMBL3362528)
Ki
3.8±n/a nM
Citation
 Pichake, J; Kharkar, PS; Ceruso, M; Supuran, CT; Toraskar, MP Carbonic anhydrase inhibitors: design, synthesis, and biological evaluation of novel sulfonyl semicarbazide derivatives. ACS Med Chem Lett 5:793-6 (2014) [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:
BDBM50054652
Synonyms:
CHEMBL3323212
Type:
Small organic molecule
Emp. Form.:
C14H16N4O6S2
Mol. Mass.:
400.43
SMILES:
COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: