Reaction Details Report a problem with these data
Target
Liver carboxylesterase 1
Ligand
BDBM22841
Substrate
BDBM22723
Meas. Tech.
Enzyme Inhibition Assay
Ki
>100000±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:
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:
BDBM22841
Synonyms:
1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-indole-2,3-dione | Isatin-based compound, 61
Type:
Small organic molecule
Emp. Form.:
C13H14N2O3
Mol. Mass.:
246.2619
SMILES:
O=C1N(CN2CCOCC2)c2ccccc2C1=O
Structure:
Search PDB for entries with ligand similarity:
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: