Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50540938
Substrate
n/a
Meas. Tech.
ChEMBL_1983278 (CHEMBL4616540)
Ki
4134±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 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:
BDBM50540938
Synonyms:
CHEMBL4644738
Type:
Small organic molecule
Emp. Form.:
C28H31FN4O3S
Mol. Mass.:
522.634
SMILES:
NS(=O)(=O)c1ccc(CCN(Cc2ccc(F)cc2)C(=O)CN(CCC#N)CCc2ccccc2)cc1
Structure:
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