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Target
1,5-anhydro-D-fructose reductase
Ligand
BDBM50119581
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
56.2±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:
BDBM50119581
Synonyms:
CHEMBL3617742 | US10413545, Compound 23 | US9718813, Compound 23
Type:
Small organic molecule
Emp. Form.:
C29H30N4O2
Mol. Mass.:
466.5741
SMILES:
CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccnc2c1 |r,c:3|
Structure:
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