| Reaction Details |
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 | Report a problem with these data |
| Target | Cocaine esterase |
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| Ligand | BDBM50171924 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_303811 (CHEMBL827070) |
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| Ki | 85±n/a nM |
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| Citation |  Hyatt, JL; Stacy, V; Wadkins, RM; Yoon, KJ; Wierdl, M; Edwards, CC; Zeller, M; Hunter, AD; Danks, MK; Crundwell, G; Potter, PM Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. J Med Chem48:5543-50 (2005) [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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| BDBM50171924 |
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| n/a |
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| Name | BDBM50171924 |
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| Synonyms: | 1,2-Di-naphthalen-2-yl-ethane-1,2-dione | 1,2-di(naphthalen-2-yl)ethane-1,2-dione | CHEMBL189162 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H14O2 |
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| Mol. Mass. | 310.3454 |
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| SMILES | O=C(C(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 |
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| Structure | 
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