| Reaction Details |
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 | Report a problem with these data |
| Target | Cocaine esterase |
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| Ligand | BDBM51317 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_944081 (CHEMBL2341914) |
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| Ki | 1410±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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| BDBM51317 |
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| n/a |
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| Name | BDBM51317 |
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| Synonyms: | 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione | 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione | 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-quinone | MLS000697676 | SMR000445578 | TANSHINONE I | acs.jmedchem.1c00409_ST.675 | cid_114917 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H12O3 |
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| Mol. Mass. | 276.2861 |
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| SMILES | Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 |
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| Structure | 
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