Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM22850 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_762142 (CHEMBL1816213) |
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Ki | 72±n/a nM |
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Citation | Parkinson, EI; Jason Hatfield, M; Tsurkan, L; Hyatt, JL; Edwards, CC; Hicks, LD; Yan, B; Potter, PM Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones. Bioorg Med Chem19:4635-43 (2011) [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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BDBM22850 |
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n/a |
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Name | BDBM22850 |
Synonyms: | 1,2-Dione-Based Compound, 7 | 1,2-dicyclohexylethane-1,2-dione |
Type | Small organic molecule |
Emp. Form. | C14H22O2 |
Mol. Mass. | 222.3233 |
SMILES | O=C(C1CCCCC1)C(=O)C1CCCCC1 |
Structure |
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