Reaction Details Report a problem with these data
Target
Carbonic anhydrase 5B, mitochondrial
Ligand
BDBM11162
Substrate
n/a
Meas. Tech.
ChEMBL_2199778 (CHEMBL5112294)
Ki
>10000±n/a nM
Citation
 Artasensi, A; Angeli, A; Lammi, C; Bollati, C; Gervasoni, S; Baron, G; Matucci, R; Supuran, CT; Vistoli, G; Fumagalli, L Discovery of a Potent and Highly Selective Dipeptidyl Peptidase IV and Carbonic Anhydrase Inhibitor as "Antidiabesity" Agents Based on Repurposing and Morphing of WB-4101. J Med Chem 65:13946-13966 (2022) [PubMed] 
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:
Human
Description:
Human (cloned) isozyme
Residue:
317
Sequence:
MVVMNSLRVILQASPGKLLWRKFQIPRFMPARPCSLYTCTYKTRNRALHPLWESVDLVPGGDRQSPINIRWRDSVYDPGLKPLTISYDPATCLHVWNNGYSFLVEFEDSTDKSVIKGGPLEHNYRLKQFHFHWGAIDAWGSEHTVDSKCFPAELHLVHWNAVRFENFEDAALEENGLAVIGVFLKLGKHHKELQKLVDTLPSIKHKDALVEFGSFDPSCLMPTCPDYWTYSGSLTTPPLSESVTWIIKKQPVEVDHDQLEQFRTLLFTSEGEKEKRMVDNFRPLQPLMNRTVRSSFRHDYVLNVQAKPKPATSQATP
  
Inhibitor
Name:
BDBM11162
Synonyms:
(1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine | (3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride | CHEMBL393336 | MK-0431 | Sitagliptin | Sitagliptin (13) | Triazolopiperazine Analogue 1 | US10479798, Compound MK0431
Type:
Small organic molecule
Emp. Form.:
C16H15F6N5O
Mol. Mass.:
407.3136
SMILES:
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Structure:
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