| Reaction Details |
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 | Report a problem with these data |
| Target | Cocaine esterase |
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| Ligand | BDBM50233192 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1649819 |
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| Ki | 284±n/a nM |
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| Citation |  Hatfield, MJ; Chen, J; Fratt, EM; Chi, L; Bollinger, JC; Binder, RJ; Bowling, J; Hyatt, JL; Scarborough, J; Jeffries, C; Potter, PM Selective Inhibitors of Human Liver Carboxylesterase Based on aß-Lapachone Scaffold: Novel Reagents for Reaction Profiling. J Med Chem60:1568-1579 (2017) [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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| BDBM50233192 |
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| n/a |
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| Name | BDBM50233192 |
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| Synonyms: | CHEMBL4068175 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H12INO2 |
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| Mol. Mass. | 389.1872 |
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| SMILES | CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(I)cc1 |t:2| |
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| Structure | 
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