Reaction Details Report a problem with these data
Target
Malonyl-CoA decarboxylase, mitochondrial
Ligand
BDBM50190401
Substrate
n/a
Meas. Tech.
ChEMBL_375433 (CHEMBL864146)
IC50
5±n/a nM
Citation
Cheng, JF; Huang, Y; Penuliar, R; Nishimoto, M; Liu, L; Arrhenius, T; Yang, G; O'leary, E; Barbosa, M; Barr, R; Dyck, JR; Lopaschuk, GD; Nadzan, AM Discovery of potent and orally available malonyl-CoA decarboxylase inhibitors as cardioprotective agents. J Med Chem 49:4055-8 (2006) [PubMed] Article
More Info.:
Target
Name:
Malonyl-CoA decarboxylase, mitochondrial
Synonyms:
DCMC_HUMAN | MLYCD | Malonyl-CoA decarboxylase
Type:
PROTEIN
Mol. Mass.:
55018.37
Organism:
Homo sapiens (Human)
Description:
ChEMBL_665404
Residue:
493
Sequence:
MRGFGPGLTARRLLPLRLPPRPPGPRLASGQAAGALERAMDELLRRAVPPTPAYELREKTPAPAEGQCADFVSFYGGLAETAQRAELLGRLARGFGVDHGQVAEQSAGVLHLRQQQREAAVLLQAEDRLRYALVPRYRGLFHHISKLDGGVRFLVQLRADLLEAQALKLVEGPDVREMNGVLKGMLSEWFSSGFLNLERVTWHSPCEVLQKISEAEAVHPVKNWMDMKRRVGPYRRCYFFSHCSTPGEPLVVLHVALTGDISSNIQAIVKEHPPSETEEKNKITAAIFYSISLTQQGLQGVELGTFLIKRVVKELQREFPHLGVFSSLSPIPGFTKWLLGLLNSQTKEHGRNELFTDSECKEISEITGGPINETLKLLLSSSEWVQSEKLVRALQTPLMRLCAWYLYGEKHRGYALNPVANFHLQNGAVLWRINWMADVSLRGITGSCGLMANYRYFLEETGPNSTSYLGSKIIKASEQVLSLVAQFQKNSKL
Inhibitor
Name:
BDBM50190401
Synonyms:
CHEMBL211177 | tert-butyl-(3S)-3-{[(5R)-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-butanoate
Type:
Small organic molecule
Emp. Form.:
C15H20F6N2O5
Mol. Mass.:
422.3201
SMILES:
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NO[C@H](C1)C(O)(C(F)(F)F)C(F)(F)F |t:13|