Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50525477
Substrate
n/a
Meas. Tech.
ChEMBL_1897013 (CHEMBL4399048)
Ki
42±n/a nM
Citation
 Zaraei, SO; Abduelkarem, AR; Anbar, HS; Kobeissi, S; Mohammad, M; Ossama, A; El-Gamal, MI Sulfamates in drug design and discovery: Pre-clinical and clinical investigations. Eur J Med Chem 179:257-271 (2019) [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:
BDBM50525477
Synonyms:
CHEMBL4554643
Type:
Small organic molecule
Emp. Form.:
C19H19N3O7S2
Mol. Mass.:
465.5
SMILES:
COc1cc(\C=C2\SC(Nc3ccc(OS(N)(=O)=O)cc3)=NC2=O)cc(OC)c1OC |c:21|
Structure:
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