Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50209401 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_443527 (CHEMBL893784) |
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Ki | 180±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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BDBM50209401 |
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n/a |
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Name | BDBM50209401 |
Synonyms: | 1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-dione | CHEMBL242932 |
Type | Small organic molecule |
Emp. Form. | C16H8F6O2 |
Mol. Mass. | 346.2239 |
SMILES | FC(F)(F)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)C(F)(F)F |
Structure |
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