| Reaction Details |
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 | Report a problem with these data |
| Target | Cocaine esterase |
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| Ligand | BDBM22734 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_944082 (CHEMBL2341915) |
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| Ki | 23±n/a nM |
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| Citation |  Hatfield, MJ; Tsurkan, LG; Hyatt, JL; Edwards, CC; Lemoff, A; Jeffries, C; Yan, B; Potter, PM Modulation of esterified drug metabolism by tanshinones from Salvia miltiorrhiza ("Danshen"). J Nat Prod76:36-44 (2013) [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 |
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| Synonyms: | CES2 | Carboxylesterase 2 | EST2_HUMAN | ICE |
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| Type: | PROTEIN |
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| Mol. Mass.: | 61801.08 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1494240 |
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| Residue: | 559 |
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| Sequence: | MRLHRLRARLSAVACGLLLLLVRGQGQDSASPIRTTHTGQVLGSLVHVKGANAGVQTFLG
IPFAKPPLGPLRFAPPEPPESWSGVRDGTTHPAMCLQDLTAVESEFLSQFNMTFPSDSMS
EDCLYLSIYTPAHSHEGSNLPVMVWIHGGALVFGMASLYDGSMLAALENVVVVIIQYRLG
VLGFFSTGDKHATGNWGYLDQVAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSLVVS
PISQGLFHGAIMESGVALLPGLIASSADVISTVVANLSACDQVDSEALVGCLRGKSKEEI
LAINKPFKMIPGVVDGVFLPRHPQELLASADFQPVPSIVGVNNNEFGWLIPKVMRIYDTQ
KEMDREASQAALQKMLTLLMLPPTFGDLLREEYIGDNGDPQTLQAQFQEMMADSMFVIPA
LQVAHFQCSRAPVYFYEFQHQPSWLKNIRPPHMKADHGDELPFVFRSFFGGNYIKFTEEE
EQLSRKMMKYWANFARNGNPNGEGLPHWPLFDQEEQYLQLNLQPAVGRALKAHRLQFWKK
ALPQKIQELEEPEERHTEL
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| BDBM22734 |
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| n/a |
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| Name | BDBM22734 |
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| Synonyms: | 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione | Benzil-based compound, 12 | CHEMBL193229 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H6F4O2 |
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| Mol. Mass. | 282.1899 |
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| SMILES | Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1 |
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| Structure | 
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