Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50456024
Substrate
n/a
Meas. Tech.
ChEMBL_1755075 (CHEMBL4189835)
Ki
49±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 4
Synonyms:
CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV)
Type:
Enzyme
Mol. Mass.:
35037.98
Organism:
Homo sapiens (Human)
Description:
P22748
Residue:
312
Sequence:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
  
Inhibitor
Name:
BDBM50456024
Synonyms:
CHEMBL4217367
Type:
Small organic molecule
Emp. Form.:
C22H20N2O4S
Mol. Mass.:
408.47
SMILES:
CC(C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1cccc(c1)C(=O)c1ccccc1
Structure:
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