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Target
Acylcarnitine hydrolase
Ligand
BDBM50409655
Substrate
n/a
Meas. Tech.
ChEMBL_216226 (CHEMBL823860)
IC50
478630.09±n/a nM
Citation
 Wheelock, CE; Colvin, ME; Uemura, I; Olmstead, MM; Sanborn, JR; Nakagawa, Y; Jones, AD; Hammock, BD Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors. J Med Chem 45:5576-93 (2002) [PubMed]  Article 
Target
Name:
Acylcarnitine hydrolase
Synonyms:
Carboxylesterase 2 | Ces2 | Ces2c | EST2C_MOUSE
Type:
PROTEIN
Mol. Mass.:
62457.35
Organism:
Mus musculus
Description:
ChEMBL_216226
Residue:
561
Sequence:
MTRNQLHNWLNAGFFGLLLLLIHVQGQDSPEANPIRNTHTGQIQGSLIHVKDTKAGVHTFLGIPFAKPPVGPLRFAPPEAPEPWSGVRDGTAHPAMCLQNLDMLNEAGLPDMKMMLSSFPMSEDCLYLNIYTPAHAHEGSNLPVMVWIHGGALVIGMASMFDGSLLTVNEDLVVVTIQYRLGVLGFFSTGDQHARGNWGYLDQAAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSHVVSPMSQGLFHGAIMESGVALLPDLISETSEMVSTTVAKLSGCEAMDSQALVRCLRGKSEAEILAINKVFKMIPAVVDGEFFPRHPKELLASEDFHPVPSIIGVNNDEFGWSIPVVMGSAQMIKGITRENLQAVLKDTAVQMMLPPECSDLLMEEYMGDTEDAQTLQIQFTEMMGDFMFVIPALQVAHFQRSHAPVYFYEFQHPPSYFKDVRPPHVKADHADEIPFVFASFFWGMKLDFTEEEELLSRRMMKYWANFARHGNPNSEGLPYWPVMDHDEQYLQLDIQPAVGRALKAGRLQFWTKTLPQKIQELKASQDKHREL
  
Inhibitor
Name:
BDBM50409655
Synonyms:
CHEMBL152577
Type:
Small organic molecule
Emp. Form.:
C9H18O3S
Mol. Mass.:
206.302
SMILES:
CCCCCCS(=O)(=O)CC(C)=O
Structure:
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