Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50091614
Substrate
n/a
Meas. Tech.
ChEMBL_1498375 (CHEMBL3584204)
Ki
0.3±n/a nM
Citation
 Shi, Q; Kaiser, TM; Dentmon, ZW; Ceruso, M; Vullo, D; Supuran, CT; Snyder, JP Design and Validation of FRESH, a Drug Discovery Paradigm Resting on Robust Chemical Synthesis. ACS Med Chem Lett 6:518-22 (2015) [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:
BDBM50091614
Synonyms:
CHEMBL3582347
Type:
Small organic molecule
Emp. Form.:
C16H19N3O3S
Mol. Mass.:
333.405
SMILES:
CC(C)c1cccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1
Structure:
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