Target
Liver carboxylesterase 1
Ligand
BDBM22850
Substrate
n/a
Meas. Tech.
ChEMBL_762143 (CHEMBL1816214)
Ki
27±n/a nM
Citation
 Parkinson, EIJason Hatfield, MTsurkan, LHyatt, JLEdwards, CCHicks, LDYan, BPotter, PM Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones. Bioorg Med Chem 19:4635-43 (2011) [PubMed]  Article 
Target
Name:
Liver carboxylesterase 1
Synonyms:
Carboxylesterase 1 | EST1_RABIT | liver carboxylesterase 1 | rCE
Type:
Enzyme
Mol. Mass.:
62292
Organism:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
565
Sequence:
MWLCALALASLAACTAWGHPSAPPVVDTVHGKVLGKFVSLEGFAQPVAVFLGVPFAKPPLGSLRFAPPQPAESWSHVKNTTSYPPMCSQDAVSGHMLSELFTNRKENIPLKFSEDCLYLNIYTPADLTKRGRLPVMVWIHGGGLMVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIANFGGDPGSVTIFGESAGGQSVSILLLSPLTKNLFHRAISESGVALLSSLFRKNTKSLAEKIAIEAGCKTTTSAVMVHCLRQKTEEELMEVTLKMKFMALDLVGDPKENTAFLTTVIDGVLLPKAPAEILAEKKYNMLPYMVGINQQEFGWIIPMQMLGYPLSEGKLDQKTATELLWKSYPIVNVSKELTPVATEKYLGGTDDPVKKKDLFLDMLADLLFGVPSVNVARHHRDAGAPTYMYEYRYRPSFSSDMRPKTVIGDHGDEIFSVLGAPFLKEGATEEEIKLSKMVMKYWANFARNGNPNGEGLPQWPAYDYKEGYLQIGATTQAAQKLKDKEVAFWTELWAKEAARPRETEHIEL
  
Inhibitor
Name:
BDBM22850
Synonyms:
1,2-Dione-Based Compound, 7 | 1,2-dicyclohexylethane-1,2-dione
Type:
Small organic molecule
Emp. Form.:
C14H22O2
Mol. Mass.:
222.3233
SMILES:
O=C(C1CCCCC1)C(=O)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: