Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50515837
Substrate
n/a
Meas. Tech.
ChEMBL_1862692 (CHEMBL4363548)
Ki
5.3±n/a nM
Citation
 Moi, D; Nocentini, A; Deplano, A; Balboni, G; Supuran, CT; Onnis, V Structure-activity relationship with pyrazoline-based aromatic sulfamates as carbonic anhydrase isoforms I, II, IX and XII inhibitors: Synthesis and biological evaluation. Eur J Med Chem 182:0 (2019) [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:
BDBM50515837
Synonyms:
CHEMBL4453349
Type:
Small organic molecule
Emp. Form.:
C17H15Cl2N3O4S
Mol. Mass.:
428.29
SMILES:
CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)cc1Cl |c:4|
Structure:
Search PDB for entries with ligand similarity: