Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50237192
Substrate
n/a
Meas. Tech.
ChEMBL_1660630 (CHEMBL4010242)
Ki
0.690000±n/a nM
Citation
 Mishra, CB; Kumari, S; Angeli, A; Monti, SM; Buonanno, M; Tiwari, M; Supuran, CT Discovery of Benzenesulfonamides with Potent Human Carbonic Anhydrase Inhibitory and Effective Anticonvulsant Action: Design, Synthesis, and Pharmacological Assessment. J Med Chem 60:2456-2469 (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:
BDBM50237192
Synonyms:
CHEMBL4072947
Type:
Small organic molecule
Emp. Form.:
C19H24FN5O3S
Mol. Mass.:
421.489
SMILES:
NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: