Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM22842
Substrate
BDBM22723
Meas. Tech.
Enzyme Inhibition Assay
Ki
10±n/a nM
Citation
 Hyatt, JL; Moak, T; Hatfield, MJ; Tsurkan, L; Edwards, CC; Wierdl, M; Danks, MK; Wadkins, RM; Potter, PM Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem 50:1876-85 (2007) [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:
BDBM22842
Synonyms:
1-dodecyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL222644 | Isatin-based compound, 62
Type:
Small organic molecule
Emp. Form.:
C20H29NO2
Mol. Mass.:
315.4498
SMILES:
CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
Structure:
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Substrate
Name:
BDBM22723
Synonyms:
2-nitrophenyl acetate | Nitrophenyl Acetate | o-NPA | o-nitrophenyl acetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
CC(=O)Oc1ccccc1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: