Reaction Details |
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Target | Liver carboxylesterase 1 |
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Ligand | BDBM22782 |
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Substrate/Competitor | BDBM22723 |
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Meas. Tech. | Enzyme Inhibition Assay |
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Ki | 54.8±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 |
Synonyms: | Carboxylesterase 1 | EST1_RABIT | liver carboxylesterase 1 | rCE |
Type: | Enzyme |
Mol. Mass.: | 62292 |
Organism: | Oryctolagus cuniculus (rabbit) |
Description: | n/a |
Residue: | 565 |
Sequence: | MWLCALALASLAACTAWGHPSAPPVVDTVHGKVLGKFVSLEGFAQPVAVFLGVPFAKPPL
GSLRFAPPQPAESWSHVKNTTSYPPMCSQDAVSGHMLSELFTNRKENIPLKFSEDCLYLN
IYTPADLTKRGRLPVMVWIHGGGLMVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIANFGGDPGSVTIFGESAGGQSVSILLLSPLTKNLF
HRAISESGVALLSSLFRKNTKSLAEKIAIEAGCKTTTSAVMVHCLRQKTEEELMEVTLKM
KFMALDLVGDPKENTAFLTTVIDGVLLPKAPAEILAEKKYNMLPYMVGINQQEFGWIIPM
QMLGYPLSEGKLDQKTATELLWKSYPIVNVSKELTPVATEKYLGGTDDPVKKKDLFLDML
ADLLFGVPSVNVARHHRDAGAPTYMYEYRYRPSFSSDMRPKTVIGDHGDEIFSVLGAPFL
KEGATEEEIKLSKMVMKYWANFARNGNPNGEGLPQWPAYDYKEGYLQIGATTQAAQKLKD
KEVAFWTELWAKEAARPRETEHIEL
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BDBM22782 |
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BDBM22723 |
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Name | BDBM22782 |
Synonyms: | 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione | Benzil-related compound, 56 | Benzil-related compound, 57 | acs.jmedchem.1c00409_ST.350 |
Type | Small organic molecule |
Emp. Form. | C6Cl4O2 |
Mol. Mass. | 245.875 |
SMILES | ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O |c:1,t:7| |
Structure |
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