Reaction Details Report a problem with these data
Target
Carbonic anhydrase 5B, mitochondrial
Ligand
BDBM13063
Substrate
n/a
Meas. Tech.
ChEMBL_878784 (CHEMBL2183724)
Ki
88±n/a nM
Citation
 Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms. J Med Chem 55:9619-29 (2012) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 5B, mitochondrial
Synonyms:
CA-VB | CA5B | CAH5B_HUMAN | Carbonate dehydratase VB | Carbonic Anhydrase VB | Carbonic anhydrase 5B (CA VB) | Carbonic anhydrase 5B, mitochondrial | Carbonic anhydrase 5B, mitochondrial precursor | Carbonic anhydrase V | Carbonic anhydrase VB (CA VB)
Type:
Enzyme
Mol. Mass.:
36440.83
Organism:
Homo sapiens (Human)
Description:
Human (cloned) isozyme
Residue:
317
Sequence:
MVVMNSLRVILQASPGKLLWRKFQIPRFMPARPCSLYTCTYKTRNRALHPLWESVDLVPGGDRQSPINIRWRDSVYDPGLKPLTISYDPATCLHVWNNGYSFLVEFEDSTDKSVIKGGPLEHNYRLKQFHFHWGAIDAWGSEHTVDSKCFPAELHLVHWNAVRFENFEDAALEENGLAVIGVFLKLGKHHKELQKLVDTLPSIKHKDALVEFGSFDPSCLMPTCPDYWTYSGSLTTPPLSESVTWIIKKQPVEVDHDQLEQFRTLLFTSEGEKEKRMVDNFRPLQPLMNRTVRSSFRHDYVLNVQAKPKPATSQATP
  
Inhibitor
Name:
BDBM13063
Synonyms:
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide | Bextra | CHEMBL865 | VLX | Valdecoxib | cid_119607
Type:
Small organic molecule
Emp. Form.:
C16H14N2O3S
Mol. Mass.:
314.359
SMILES:
Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Structure:
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