Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50131270 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1491909 (CHEMBL3528578) |
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Ki | 2300±n/a nM |
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Citation | Kobayashi, Y; Fukami, T; Shimizu, M; Nakajima, M; Yokoi, T Contributions of arylacetamide deacetylase and carboxylesterase 2 to flutamide hydrolysis in human liver. Drug Metab Dispos40:1080-4 (2012) [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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BDBM50131270 |
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n/a |
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Name | BDBM50131270 |
Synonyms: | 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | 4'-nitro-3'-trifluoromethylisobutyranilide | CHEMBL806 | Eulexin | FLUTAMIDE | Niftolide | alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide | niftolid |
Type | Small organic molecule |
Emp. Form. | C11H11F3N2O3 |
Mol. Mass. | 276.2118 |
SMILES | CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |
Structure |
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