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Target
Malonyl-CoA decarboxylase, mitochondrial
Ligand
BDBM50186056
Substrate
n/a
Meas. Tech.
ChEMBL_371874 (CHEMBL871585)
IC50
24±n/a nM
Citation
 Cheng, JF; Mak, CC; Huang, Y; Penuliar, R; Nishimoto, M; Zhang, L; Chen, M; Wallace, D; Arrhenius, T; Chu, D; Yang, G; Barbosa, M; Barr, R; Dyck, JR; Lopaschuk, GD; Nadzan, AM Heteroaryl substituted bis-trifluoromethyl carbinols as malonyl-CoA decarboxylase inhibitors. Bioorg Med Chem Lett 16:3484-8 (2006) [PubMed]  Article 
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:
BDBM50186056
Synonyms:
1-(2-cyanoethyl)-1-ethyl-3-(6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-3-yl)-3-((tetrahydrofuran-3-yl)methyl)thiourea | CHEMBL378202
Type:
Small organic molecule
Emp. Form.:
C19H22F6N4O2S
Mol. Mass.:
484.459
SMILES:
CCN(CCC#N)C(=S)N(CC1CCOC1)c1ccc(nc1)C(O)(C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: