Reaction Details Report a problem with these data
Target
Liver carboxylesterase
Ligand
BDBM50358312
Substrate
n/a
Meas. Tech.
ChEMBL_791004 (CHEMBL1925665)
IC50
6060±n/a nM
Citation
 Sokolova, NV; Nenajdenko, VG; Sokolov, VB; Serebryakova, OG; Makhaeva, GF Synthesis and testing of trifluoromethyl-containing phosphonate-peptide conjugates as inhibitors of serine hydrolases. Bioorg Med Chem Lett 21:7216-8 (2011) [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:
BDBM50358312
Synonyms:
CHEMBL1922541
Type:
Small organic molecule
Emp. Form.:
C8H10F3O5P
Mol. Mass.:
274.131
SMILES:
COC(=O)C(OP(C)(=O)OCC#C)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: