| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase |
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| Ligand | BDBM50409672 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_45462 (CHEMBL657984) |
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| IC50 | 16.98±n/a nM |
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| Citation |  Wheelock, CE; Colvin, ME; Uemura, I; Olmstead, MM; Sanborn, JR; Nakagawa, Y; Jones, AD; Hammock, BD Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors. J Med Chem45:5576-93 (2002) [PubMed] |
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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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| BDBM50409672 |
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| n/a |
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| Name | BDBM50409672 |
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| Synonyms: | CHEMBL153080 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H16F3NO |
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| Mol. Mass. | 211.2246 |
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| SMILES | CCCCCCNCC(=O)C(F)(F)F |
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| Structure | 
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