Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM50350329
Substrate
n/a
Meas. Tech.
ChEMBL_762143 (CHEMBL1816214)
Ki
9±n/a nM
Citation
 Parkinson, EI; Jason Hatfield, M; Tsurkan, L; Hyatt, JL; Edwards, CC; Hicks, LD; Yan, B; Potter, 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:
BDBM50350329
Synonyms:
CHEMBL1812859
Type:
Small organic molecule
Emp. Form.:
C18H34O2
Mol. Mass.:
282.4614
SMILES:
CCCCCCCCC(=O)C(=O)CCCCCCCC
Structure:
Search PDB for entries with ligand similarity: