Reaction Details |
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Target | Liver carboxylesterase |
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Ligand | BDBM50268001 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1704274 (CHEMBL4055507) |
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Ki | 570±n/a nM |
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Citation | Shchegol'kov, EV; Makhaeva, GF; Boltneva, NP; Lushchekina, SV; Serebryakova, OG; Rudakova, EV; Kovaleva, NV; Burgart, YV; Saloutin, VI; Chupakhin, ON; Bachurin, SO; Richardson, 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 |
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More Info.: | Get all data from this article, Assay Method |
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Liver carboxylesterase |
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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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BDBM50268001 |
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n/a |
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Name | BDBM50268001 |
Synonyms: | CHEMBL4100446 |
Type | Small organic molecule |
Emp. Form. | C9H5F9N6O3 |
Mol. Mass. | 416.16 |
SMILES | COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4| |
Structure |
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