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Target
Carbonic anhydrase 5B, mitochondrial
Ligand
BDBM11639
Substrate
n/a
Meas. Tech.
ChEMBL_643928 (CHEMBL1211827)
Ki
93±n/a nM
Citation
 Avvaru, BS; Wagner, JM; Maresca, A; Scozzafava, A; Robbins, AH; Supuran, CT; McKenna, R Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett 20:4376-81 (2010) [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:
BDBM11639
Synonyms:
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662
Type:
Small organic molecule
Emp. Form.:
C17H14F3N3O2S
Mol. Mass.:
381.372
SMILES:
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: