Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50540914
Substrate
n/a
Meas. Tech.
ChEMBL_1983277 (CHEMBL4616539)
Ki
121±n/a nM
Citation
 Bonardi, A; Nocentini, A; Bua, S; Combs, J; Lomelino, C; Andring, J; Lucarini, L; Sgambellone, S; Masini, E; McKenna, R; Gratteri, P; Supuran, CT Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J Med Chem 63:7422-7444 (2020) [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:
BDBM50540914
Synonyms:
CHEMBL4649189
Type:
Small organic molecule
Emp. Form.:
C15H17N3O4S
Mol. Mass.:
335.378
SMILES:
NS(=O)(=O)c1ccc(CCNCc2ccc(cc2)[N+]([O-])=O)cc1
Structure:
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