Reaction Details |
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Target | Cocaine esterase |
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Ligand | BDBM50130919 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1525590 (CHEMBL3637216) |
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IC50 | 8680±n/a nM |
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Citation | Mai, ZP; Zhou, K; Ge, GB; Wang, C; Huo, XK; Dong, PP; Deng, S; Zhang, BJ; Zhang, HL; Huang, SS; Ma, XC Protostane Triterpenoids from the Rhizome of Alisma orientale Exhibit Inhibitory Effects on Human Carboxylesterase 2. J Nat Prod78:2372-80 (2015) [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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BDBM50130919 |
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n/a |
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Name | BDBM50130919 |
Synonyms: | CHEMBL3632942 |
Type | Small organic molecule |
Emp. Form. | C30H44O4 |
Mol. Mass. | 468.668 |
SMILES | [H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@H](O)C(C)=C)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10| |
Structure |
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