| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase 1 |
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| Ligand | BDBM50377927 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2047562 (CHEMBL4702261) |
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| IC50 | 100±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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| Liver carboxylesterase 1 |
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| Name: | Liver carboxylesterase 1 |
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| Synonyms: | Acyl coenzyme A:cholesterol acyltransferase | Acyl-CoA: cholesterol acyltransferase (ACAT) | CES1 | CES2 | EST1_HUMAN | SES1 | Serine hydrolase (CES1) |
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| Type: | Protein |
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| Mol. Mass.: | 62520.83 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 567 |
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| Sequence: | MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL
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| BDBM50377927 |
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| n/a |
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| Name | BDBM50377927 |
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| Synonyms: | Clerodol | Fagarasterol | Farganasterol | LUPEOL | Monogynol B | US11660306, Example Lupeol |
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| Type | Small organic molecule |
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| Emp. Form. | C30H50O |
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| Mol. Mass. | 426.7174 |
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| 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| |
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| Structure | 
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