Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50377927 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2047561 (CHEMBL4702260) |
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IC50 | 1900±n/a nM |
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Citation | Zhang, JF; Zhong, WC; Li, YC; Song, YQ; Xia, GY; Tian, GH; Ge, GB; Lin, S Bioactivity-Guided Discovery of Human Carboxylesterase Inhibitors from the Roots of J Nat Prod83:2940-2949 (2020) [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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BDBM50377927 |
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n/a |
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Name | BDBM50377927 |
Synonyms: | Clerodol | Fagarasterol | Farganasterol | LUPEOL | Monogynol B | US11660306, Example Lupeol |
Type | Small organic molecule |
Emp. Form. | C30H50O |
Mol. Mass. | 426.7174 |
SMILES | CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |r| |
Structure |
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