Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50209420 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_443527 (CHEMBL893784) |
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Ki | 99.5±n/a nM |
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Citation | Hicks, LD; Hyatt, JL; Moak, T; Edwards, CC; Tsurkan, L; Wierdl, M; Ferreira, AM; Wadkins, RM; Potter, PM Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils. Bioorg Med Chem15:3801-17 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cocaine esterase |
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Name: | Cocaine esterase |
Synonyms: | CES2 | Carboxylesterase 2 | EST2_HUMAN | ICE |
Type: | PROTEIN |
Mol. Mass.: | 61801.08 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1494240 |
Residue: | 559 |
Sequence: | MRLHRLRARLSAVACGLLLLLVRGQGQDSASPIRTTHTGQVLGSLVHVKGANAGVQTFLG
IPFAKPPLGPLRFAPPEPPESWSGVRDGTTHPAMCLQDLTAVESEFLSQFNMTFPSDSMS
EDCLYLSIYTPAHSHEGSNLPVMVWIHGGALVFGMASLYDGSMLAALENVVVVIIQYRLG
VLGFFSTGDKHATGNWGYLDQVAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSLVVS
PISQGLFHGAIMESGVALLPGLIASSADVISTVVANLSACDQVDSEALVGCLRGKSKEEI
LAINKPFKMIPGVVDGVFLPRHPQELLASADFQPVPSIVGVNNNEFGWLIPKVMRIYDTQ
KEMDREASQAALQKMLTLLMLPPTFGDLLREEYIGDNGDPQTLQAQFQEMMADSMFVIPA
LQVAHFQCSRAPVYFYEFQHQPSWLKNIRPPHMKADHGDELPFVFRSFFGGNYIKFTEEE
EQLSRKMMKYWANFARNGNPNGEGLPHWPLFDQEEQYLQLNLQPAVGRALKAHRLQFWKK
ALPQKIQELEEPEERHTEL
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BDBM50209420 |
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n/a |
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Name | BDBM50209420 |
Synonyms: | 1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone | CHEMBL244630 |
Type | Small organic molecule |
Emp. Form. | C14H6F6O2 |
Mol. Mass. | 320.1867 |
SMILES | OC(C(=O)c1cc(F)cc(F)c1F)c1cc(F)cc(F)c1F |
Structure |
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