Reaction Details |
| Report a problem with these data |
Target | Liver carboxylesterase 1 |
---|
Ligand | BDBM22743 |
---|
Substrate/Competitor | BDBM22723 |
---|
Meas. Tech. | Enzyme Inhibition Assay |
---|
pH | 7.4±n/a |
---|
Temperature | 298.15±n/a K |
---|
Ki | 3410±550 nM |
---|
Citation | Hyatt, JL; Wadkins, RM; Tsurkan, L; Hicks, LD; Hatfield, MJ; Edwards, CC; Ross, CR; Cantalupo, SA; Crundwell, G; Danks, MK; Guy, RK; Potter, PM Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem50:5727-34 (2007) [PubMed] Article |
---|
More Info.: | Get all data from this article, Solution Info, Assay Method |
---|
|
Liver carboxylesterase 1 |
---|
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: | MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL
|
|
|
BDBM22743 |
---|
BDBM22723 |
---|
Name | BDBM22743 |
Synonyms: | 1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-based compound, 21 | JMC505727 Compound 2 |
Type | Small organic molecule |
Emp. Form. | C16H14O4 |
Mol. Mass. | 270.28 |
SMILES | COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1 |
Structure |
|