| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase 1 |
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| Ligand | BDBM22748 |
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| Substrate/Competitor | BDBM22723 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| Ki | 11.9±n/a nM |
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| Citation |  Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem48:2906-15 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Liver carboxylesterase 1 |
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| Name: | Liver carboxylesterase 1 |
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| Synonyms: | Carboxylesterase 1 | EST1_RABIT | liver carboxylesterase 1 | rCE |
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| Type: | Enzyme |
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| Mol. Mass.: | 62292 |
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| Organism: | Oryctolagus cuniculus (rabbit) |
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| Description: | n/a |
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| Residue: | 565 |
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| Sequence: | MWLCALALASLAACTAWGHPSAPPVVDTVHGKVLGKFVSLEGFAQPVAVFLGVPFAKPPL
GSLRFAPPQPAESWSHVKNTTSYPPMCSQDAVSGHMLSELFTNRKENIPLKFSEDCLYLN
IYTPADLTKRGRLPVMVWIHGGGLMVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIANFGGDPGSVTIFGESAGGQSVSILLLSPLTKNLF
HRAISESGVALLSSLFRKNTKSLAEKIAIEAGCKTTTSAVMVHCLRQKTEEELMEVTLKM
KFMALDLVGDPKENTAFLTTVIDGVLLPKAPAEILAEKKYNMLPYMVGINQQEFGWIIPM
QMLGYPLSEGKLDQKTATELLWKSYPIVNVSKELTPVATEKYLGGTDDPVKKKDLFLDML
ADLLFGVPSVNVARHHRDAGAPTYMYEYRYRPSFSSDMRPKTVIGDHGDEIFSVLGAPFL
KEGATEEEIKLSKMVMKYWANFARNGNPNGEGLPQWPAYDYKEGYLQIGATTQAAQKLKD
KEVAFWTELWAKEAARPRETEHIEL
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| BDBM22748 |
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| BDBM22723 |
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| Name | BDBM22748 |
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| Synonyms: | 1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dione | Benzil-based compound, 26 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H11NO4 |
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| Mol. Mass. | 269.2521 |
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| SMILES | Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1 |
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| Structure | 
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