Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50456036
Substrate
n/a
Meas. Tech.
ChEMBL_1755074 (CHEMBL4189834)
Ki
9.2±n/a nM
Citation
 Akgul, O; Di Cesare Mannelli, L; Vullo, D; Angeli, A; Ghelardini, C; Bartolucci, G; Alfawaz Altamimi, AS; Scozzafava, A; Supuran, CT; Carta, F Discovery of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Management of Rheumatoid Arthritis. J Med Chem 61:4961-4977 (2018) [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:
BDBM50456036
Synonyms:
CHEMBL4207066
Type:
Small organic molecule
Emp. Form.:
C21H28N2O3S
Mol. Mass.:
388.524
SMILES:
CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Structure:
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