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TargetCarboxylesterase
LigandBDBM50409669
Substrate/Competitorn/a
Meas. Tech.ChEMBL_45462
IC50 0.457±n/a nM
Citation Wheelock, CEColvin, MEUemura, IOlmstead, MMSanborn, JRNakagawa, YJones, ADHammock, BD Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors. J Med Chem45:5576-93 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Carboxylesterase
Name:Carboxylesterase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:62009.98
Organism:Sus scrofa
Description:ChEMBL_427761
Residue:566
Sequence:
MWLLPLVLTSLASSATWAGQPASPPVVDTAQGRVLGKYVSLEGLAQPVAVFLGVPFAKPP
LGSLRFAPPQPAEPWSFVKNTTSYPPMCCQDPVVEQMTSDLFTNGKERLTLEFSEDCLYL
NIYTPADLTKRGRLPVMVWIHGGGLVLGGAPMYDGVVLAAHENVVVVAIQYRLGIWGFFS
TGDEHSRGNWGHLDQVAALHWVQENIANFGGDPGSVTIFGESAGGESVSVLVLSPLAKNL
FHRAISESGVALTVALVRKDMKAAAKQIAVLAGCKTTTSAVFVHCLRQKSEDELLDLTLK
MKFLTLDFHGDQRESHPFLPTVVDGVLLPKMPEEILAEKDFNTVPYIVGINKQEFGWLLP
TMMGFPLSEGKLDQKTATSLLWKSYPIANIPEELTPVATDKYLGGTDDPVKKKDLFLDLM
GDVVFGVPSVTVARQHRDAGAPTYMYEFQYRPSFSSDKKPKTVIGDHGDEIFSVFGFPLL
KGDAPEEEVSLSKTVMKFWANFARSGNPNGEGLPHWPMYDQEEGYLQIGVNTQAAKRLKG
EEVAFWNDLLSKEAAKKPPKIKHAEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50409669
n/a
NameBDBM50409669
Synonyms:CHEMBL155514
TypeSmall organic molecule
Emp. Form.C9H15F3O2Se
Mol. Mass.291.17
SMILESCCCCCC[Se](=O)CC(=O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: