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Target
Liver carboxylesterase
Ligand
BDBM50570555
Substrate
n/a
Meas. Tech.
ChEMBL_2112549 (CHEMBL4821399)
IC50
5.1±n/a nM
Citation
 Makhaeva, GF; Lushchekina, SV; Boltneva, NP; Serebryakova, OG; Kovaleva, NV; Rudakova, EV; Elkina, NA; Shchegolkov, EV; Burgart, YV; Stupina, TS; Terentiev, AA; Radchenko, EV; Palyulin, VA; Saloutin, VI; Bachurin, SO; Richardson, RJ Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold. Eur J Med Chem 218:0 (2021) [PubMed]  Article 
Target
Name:
Liver carboxylesterase
Synonyms:
Carboxylesterase | EST1_PIG
Type:
PROTEIN
Mol. Mass.:
62009.98
Organism:
Sus scrofa
Description:
ChEMBL_427761
Residue:
566
Sequence:
MWLLPLVLTSLASSATWAGQPASPPVVDTAQGRVLGKYVSLEGLAQPVAVFLGVPFAKPPLGSLRFAPPQPAEPWSFVKNTTSYPPMCCQDPVVEQMTSDLFTNGKERLTLEFSEDCLYLNIYTPADLTKRGRLPVMVWIHGGGLVLGGAPMYDGVVLAAHENVVVVAIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALHWVQENIANFGGDPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTVALVRKDMKAAAKQIAVLAGCKTTTSAVFVHCLRQKSEDELLDLTLKMKFLTLDFHGDQRESHPFLPTVVDGVLLPKMPEEILAEKDFNTVPYIVGINKQEFGWLLPTMMGFPLSEGKLDQKTATSLLWKSYPIANIPEELTPVATDKYLGGTDDPVKKKDLFLDLMGDVVFGVPSVTVARQHRDAGAPTYMYEFQYRPSFSSDKKPKTVIGDHGDEIFSVFGFPLLKGDAPEEEVSLSKTVMKFWANFARSGNPNGEGLPHWPMYDQEEGYLQIGVNTQAAKRLKGEEVAFWNDLLSKEAAKKPPKIKHAEL
  
Inhibitor
Name:
BDBM50570555
Synonyms:
CHEMBL4868014
Type:
Small organic molecule
Emp. Form.:
C12H10BrF3N2O3
Mol. Mass.:
367.119
SMILES:
CCOC(=O)C(=N/Nc1ccc(Br)cc1)\C(=O)C(F)(F)F
Structure:
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