Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM195575
Substrate
n/a
Meas. Tech.
Gel-based ABPP (CES1)
pH
7.5±n/a
IC50
5±n/a nM
Comments
extracted
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 Biol 11:2529-40 (2016) [PubMed]  Article 
Target
Name:
Liver carboxylesterase 1
Synonyms:
Acyl coenzyme A:cholesterol acyltransferase | Acyl-CoA: cholesterol acyltransferase (ACAT) | CES1 | CES2 | EST1_HUMAN | SES1 | Serine hydrolase (CES1)
Type:
Protein
Mol. Mass.:
62520.83
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
567
Sequence:
MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTNLFAKKAVEKPPQTEHIEL
  
Inhibitor
Name:
BDBM195575
Synonyms:
(R)-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H-1,2,4-triazol-1-yl)(2-phenylpiperidin-1-yl)methanone (6)
Type:
Small organic molecule
Emp. Form.:
C28H29N7O2
Mol. Mass.:
495.5756
SMILES:
O=C(N1CCCC[C@@H]1c1ccccc1)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
Structure:
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