Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM22734
Substrate
BDBM22723
Meas. Tech.
Enzyme Inhibition Assay
Ki
17.5±n/a nM
Citation
Wadkins, RM; Hyatt, JL; Wei, X; Yoon, KJ; Wierdl, M; Edwards, CC; Morton, CL; Obenauer, JC; Damodaran, K; Beroza, P; Danks, MK; Potter, PM Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem 48:2906-15 (2005) [PubMed] Article
More Info.:
Target
Name:
Liver carboxylesterase 1
Synonyms:
Carboxylesterase 1 | EST1_RABIT | liver carboxylesterase 1 | rCE
Type:
Enzyme
Mol. Mass.:
62292
Organism:
Rabbit
Description:
n/a
Residue:
565
Sequence:
MWLCALALASLAACTAWGHPSAPPVVDTVHGKVLGKFVSLEGFAQPVAVFLGVPFAKPPLGSLRFAPPQPAESWSHVKNTTSYPPMCSQDAVSGHMLSELFTNRKENIPLKFSEDCLYLNIYTPADLTKRGRLPVMVWIHGGGLMVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIANFGGDPGSVTIFGESAGGQSVSILLLSPLTKNLFHRAISESGVALLSSLFRKNTKSLAEKIAIEAGCKTTTSAVMVHCLRQKTEEELMEVTLKMKFMALDLVGDPKENTAFLTTVIDGVLLPKAPAEILAEKKYNMLPYMVGINQQEFGWIIPMQMLGYPLSEGKLDQKTATELLWKSYPIVNVSKELTPVATEKYLGGTDDPVKKKDLFLDMLADLLFGVPSVNVARHHRDAGAPTYMYEYRYRPSFSSDMRPKTVIGDHGDEIFSVLGAPFLKEGATEEEIKLSKMVMKYWANFARNGNPNGEGLPQWPAYDYKEGYLQIGATTQAAQKLKDKEVAFWTELWAKEAARPRETEHIEL
Inhibitor
Name:
BDBM22734
Synonyms:
1,2-bis(3,5-difluorophenyl)ethane-1,2-dione | Benzil-based compound, 12 | CHEMBL193229
Type:
Small organic molecule
Emp. Form.:
C14H6F4O2
Mol. Mass.:
282.1899
SMILES:
Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1