Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50346605 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1561176 (CHEMBL3777369) |
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IC50 | 6950±n/a nM |
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Citation | Zou, LW; Li, YG; Wang, P; Zhou, K; Hou, J; Jin, Q; Hao, DC; Ge, GB; Yang, L Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2. Eur J Med Chem112:280-8 (2016) [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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BDBM50346605 |
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n/a |
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Name | BDBM50346605 |
Synonyms: | CHEMBL487933 |
Type | Small organic molecule |
Emp. Form. | C30H48O3 |
Mol. Mass. | 456.7003 |
SMILES | CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:18| |
Structure |
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