Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50009219 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_944081 (CHEMBL2341914) |
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Ki | 84±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 |
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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BDBM50009219 |
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n/a |
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Name | BDBM50009219 |
Synonyms: | 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione | CHEMBL45830 | MILTIRONE | acs.jmedchem.1c00409_ST.608 | miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione |
Type | Small organic molecule |
Emp. Form. | C19H22O2 |
Mol. Mass. | 282.3768 |
SMILES | CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3| |
Structure |
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