| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase |
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| Ligand | BDBM50500755 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1549824 (CHEMBL3757708) |
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| Ki | 2090±n/a nM |
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| Citation |  Makhaeva, GF; Boltneva, NP; Lushchekina, SV; Serebryakova, OG; Stupina, TS; Terentiev, AA; Serkov, IV; Proshin, AN; Bachurin, SO; Richardson, RJ Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors. Bioorg Med Chem24:1050-62 (2016) [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 |
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| Synonyms: | Carboxylesterase | EST1_PIG |
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| Type: | PROTEIN |
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| Mol. Mass.: | 62009.98 |
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| Organism: | Sus scrofa |
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| Description: | ChEMBL_427761 |
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| Residue: | 566 |
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| Sequence: | MWLLPLVLTSLASSATWAGQPASPPVVDTAQGRVLGKYVSLEGLAQPVAVFLGVPFAKPP
LGSLRFAPPQPAEPWSFVKNTTSYPPMCCQDPVVEQMTSDLFTNGKERLTLEFSEDCLYL
NIYTPADLTKRGRLPVMVWIHGGGLVLGGAPMYDGVVLAAHENVVVVAIQYRLGIWGFFS
TGDEHSRGNWGHLDQVAALHWVQENIANFGGDPGSVTIFGESAGGESVSVLVLSPLAKNL
FHRAISESGVALTVALVRKDMKAAAKQIAVLAGCKTTTSAVFVHCLRQKSEDELLDLTLK
MKFLTLDFHGDQRESHPFLPTVVDGVLLPKMPEEILAEKDFNTVPYIVGINKQEFGWLLP
TMMGFPLSEGKLDQKTATSLLWKSYPIANIPEELTPVATDKYLGGTDDPVKKKDLFLDLM
GDVVFGVPSVTVARQHRDAGAPTYMYEFQYRPSFSSDKKPKTVIGDHGDEIFSVFGFPLL
KGDAPEEEVSLSKTVMKFWANFARSGNPNGEGLPHWPMYDQEEGYLQIGVNTQAAKRLKG
EEVAFWNDLLSKEAAKKPPKIKHAEL
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| BDBM50500755 |
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| n/a |
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| Name | BDBM50500755 |
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| Synonyms: | CHEMBL3752466 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H26I2N2S |
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| Mol. Mass. | 592.318 |
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| SMILES | I.CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1 |t:17| |
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| Structure | 
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