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Target
1,5-anhydro-D-fructose reductase
Ligand
BDBM269339
Substrate
n/a
Meas. Tech.
Fatty Acid Synthase Keto-reductase Domain (FASN KR) Inhibition
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
53.7±n/a nM
Comments
extracted
Citation
 Connolly, PJ; Lu, T Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer US Patent  US9718813 Publication Date 8/1/2017 
Target
Name:
1,5-anhydro-D-fructose reductase
Synonyms:
AF reductase | AKCL2_HUMAN | AKR1CL2 | AKR1E2 | AKRDC1 | Aldo-keto reductase family 1 member C-like protein 2 | Aldo-keto reductase family 1 member E2 | LoopADR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36595.42
Organism:
Homo sapiens (Human)
Description:
Q96JD6
Residue:
320
Sequence:
MGDIPAVGLSSWKASPGKVTEAVKEAIDAGYRHFDCAYFYHNEREVGAGIRCKIKEGAVRREDLFIATKLWCTCHKKSLVETACRKSLKALKLNYLDLYLIHWPMGFKPPHPEWIMSCSELSFCLSHPRVQDLPLDESNMVIPSDTDFLDTWEAMEDLVITGLVKNIGVSNFNHEQLERLLNKPGLRFKPLTNQIECHPYLTQKNLISFCQSRDVSVTAYRPLGGSCEGVDLIDNPVIKRIAKEHGKSPAQILIRFQIQRNVIVIPGSITPSHIKENIQVFDFELTQHDMDNILSLNRNLRLAMFPITKNHKDYPFHIEY
  
Inhibitor
Name:
BDBM269339
Synonyms:
(R)-4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyrazol-4-yl)-[1,1'-biphenyl]-4-yl)-1-((1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1H-imidazol-5(4H)-one | US10413545, Compound 84 | US9718813, Compound 84
Type:
Small organic molecule
Emp. Form.:
C32H37N5O2
Mol. Mass.:
523.6685
SMILES:
Cc1cc(ccc1C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1 |r,t:8|
Structure:
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