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TargetLiver carboxylesterase
LigandBDBM50267977
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1704274 (CHEMBL4055507)
Ki 1610±n/a nM
Citation Shchegol'kov, EVMakhaeva, GFBoltneva, NPLushchekina, SVSerebryakova, OGRudakova, EVKovaleva, NVBurgart, YVSaloutin, VIChupakhin, ONBachurin, SORichardson, RJ Synthesis, molecular docking, and biological activity of polyfluoroalkyl dihydroazolo[5,1-c][1,2,4]triazines as selective carboxylesterase inhibitors. Bioorg Med Chem25:3997-4007 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Liver carboxylesterase
Name:Liver carboxylesterase
Synonyms:Carboxylesterase | EST1_PIG
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
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  Blast E-value cutoff:
BDBM50267977
n/a
NameBDBM50267977
Synonyms:CHEMBL4080436
TypeSmall organic molecule
Emp. Form.C16H13F5N4O3
Mol. Mass.404.2914
SMILESCCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)F)-c1ccccc1 |t:5|
Structure
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