Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM22759
Substrate
BDBM22723
Meas. Tech.
Enzyme Inhibition Assay
Ki
6.1±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:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
565
Sequence:
MWLCALALASLAACTAWGHPSAPPVVDTVHGKVLGKFVSLEGFAQPVAVFLGVPFAKPPLGSLRFAPPQPAESWSHVKNTTSYPPMCSQDAVSGHMLSELFTNRKENIPLKFSEDCLYLNIYTPADLTKRGRLPVMVWIHGGGLMVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIANFGGDPGSVTIFGESAGGQSVSILLLSPLTKNLFHRAISESGVALLSSLFRKNTKSLAEKIAIEAGCKTTTSAVMVHCLRQKTEEELMEVTLKMKFMALDLVGDPKENTAFLTTVIDGVLLPKAPAEILAEKKYNMLPYMVGINQQEFGWIIPMQMLGYPLSEGKLDQKTATELLWKSYPIVNVSKELTPVATEKYLGGTDDPVKKKDLFLDMLADLLFGVPSVNVARHHRDAGAPTYMYEYRYRPSFSSDMRPKTVIGDHGDEIFSVLGAPFLKEGATEEEIKLSKMVMKYWANFARNGNPNGEGLPQWPAYDYKEGYLQIGATTQAAQKLKDKEVAFWTELWAKEAARPRETEHIEL
Inhibitor
Name:
BDBM22759
Synonyms:
1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione | Benzil-based compound, 37 | JMC505727 Compound 18
Type:
Small organic molecule
Emp. Form.:
C22H14O4
Mol. Mass.:
342.3442
SMILES:
O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1