| Reaction Details |
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 | Report a problem with these data |
| Target | Liver carboxylesterase 1 |
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| Ligand | BDBM195574 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Gel-based ABPP (CES1) |
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| pH | 7.5±n/a |
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| IC50 | 5±n/a nM |
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| Comments | extracted |
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| Citation |  Ahn, K; Boehm, M; Brown, MF; Calloway, J; Che, Y; Chen, J; Fennell, KF; Geoghegan, KF; Gilbert, AM; Gutierrez, JA; Kalgutkar, AS; Lanba, A; Limberakis, C; Magee, TV; O'Doherty, I; Oliver, R; Pabst, B; Pandit, J; Parris, K; Pfefferkorn, JA; Rolph, TP; Patel, R; Schuff, B; Shanmugasundaram, V; Starr, JT; Varghese, AH; Vera, NB; Vernochet, C; Yan, J Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism. ACS Chem Biol11:2529-40 (2016) [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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| BDBM195574 |
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| n/a |
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| Name | BDBM195574 |
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| Synonyms: | (R)-(2-phenylpiperidin-1-yl)(3-(4-(pyridin-3-yl)phenyl)-1H-1,2,4-triazol-1-yl)methanone (5) |
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| Type | Small organic molecule |
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| Emp. Form. | C25H23N5O |
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| Mol. Mass. | 409.483 |
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| SMILES | O=C(N1CCCC[C@@H]1c1ccccc1)n1cnc(n1)-c1ccc(cc1)-c1cccnc1 |
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| Structure | 
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