Reaction Details |
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Target | Liver carboxylesterase 1 |
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Ligand | BDBM22759 |
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Substrate/Competitor | BDBM22723 |
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Meas. Tech. | Enzyme Inhibition Assay |
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Ki | 6.1±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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BDBM22759 |
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BDBM22723 |
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Name | BDBM22759 |
Synonyms: | 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione | Benzil-based compound, 37 | JMC505727 Compound 18 |
Type | Small organic molecule |
Emp. Form. | C22H14O4 |
Mol. Mass. | 342.3442 |
SMILES | O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 |
Structure |
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