Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50180236
Substrate
n/a
Meas. Tech.
ChEMBL_1583578 (CHEMBL3815665)
Ki
248±n/a nM
Citation
 Ulus, R; Aday, B; Tanç, M; Supuran, CT; Kaya, M Microwave assisted synthesis of novel acridine-acetazolamide conjugates and investigation of their inhibition effects on human carbonic anhydrase isoforms hCA I, II, IV and VII. Bioorg Med Chem 24:3548-55 (2016) [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:
BDBM50180236
Synonyms:
CHEMBL3814449
Type:
Small organic molecule
Emp. Form.:
C58H60N10O10S4
Mol. Mass.:
1185.418
SMILES:
CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)C2C3=C(CC(C)(C)CC3=O)N(C3=C2C(=O)CC(C)(C)C3)c2ccc(cc2)C(=O)Nc2nnc(s2)S(N)(=O)=O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11,34,t:23|
Structure:
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