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Target
Liver carboxylesterase
Ligand
BDBM50371965
Substrate
n/a
Meas. Tech.
ChEMBL_464379 (CHEMBL931028)
IC50
63±n/a nM
Citation
 Wheelock, CE; Nishi, K; Ying, A; Jones, PD; Colvin, ME; Olmstead, MM; Hammock, BD Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH). Bioorg Med Chem 16:2114-30 (2008) [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:
BDBM50371965
Synonyms:
CHEMBL272075
Type:
Small organic molecule
Emp. Form.:
C13H23F3O3S
Mol. Mass.:
316.38
SMILES:
CCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Structure:
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