Reaction Details Report a problem with these data
Target
Carbonic anhydrase 5B, mitochondrial
Ligand
BDBM50454305
Substrate
n/a
Meas. Tech.
ChEMBL_1752588 (CHEMBL4187348)
Kd
59±n/a nM
Citation
 Čapkauskaitė, E; Zakšauskas, A; Ruibys, V; Linkuvienė, V; Paketurytė, V; Gedgaudas, M; Kairys, V; Matulis, D Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors. Bioorg Med Chem 26:675-687 (2018) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 5B, mitochondrial
Synonyms:
Carbonic anhydrase VB (CA VB) | CA-VB | Carbonic anhydrase 5B, mitochondrial precursor | Carbonic anhydrase 5B (CA VB) | Carbonate dehydratase VB | Carbonic anhydrase 5B, mitochondrial | CAH5B_HUMAN | CA5B | Carbonic anhydrase V | Carbonic Anhydrase VB
Type:
Enzyme
Mol. Mass.:
36440.83
Organism:
Human
Description:
Human (cloned) isozyme
Residue:
317
Sequence:
MVVMNSLRVILQASPGKLLWRKFQIPRFMPARPCSLYTCTYKTRNRALHPLWESVDLVPGGDRQSPINIRWRDSVYDPGLKPLTISYDPATCLHVWNNGYSFLVEFEDSTDKSVIKGGPLEHNYRLKQFHFHWGAIDAWGSEHTVDSKCFPAELHLVHWNAVRFENFEDAALEENGLAVIGVFLKLGKHHKELQKLVDTLPSIKHKDALVEFGSFDPSCLMPTCPDYWTYSGSLTTPPLSESVTWIIKKQPVEVDHDQLEQFRTLLFTSEGEKEKRMVDNFRPLQPLMNRTVRSSFRHDYVLNVQAKPKPATSQATP
  
Inhibitor
Name:
BDBM50454305
Synonyms:
CHEMBL4210750
Type:
Small organic molecule
Emp. Form.:
C17H15Cl2N3O3S
Mol. Mass.:
412.3
SMILES:
Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Cl)S(N)(=O)=O)c2cc1C
Structure:
Search PDB for entries with ligand similarity: