Reaction Details |
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Target | Acylcarnitine hydrolase |
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Ligand | BDBM50371962 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_216226 (CHEMBL823860) |
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IC50 | 446.68±n/a nM |
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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 Chem45:5576-93 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Acylcarnitine hydrolase |
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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: | MTRNQLHNWLNAGFFGLLLLLIHVQGQDSPEANPIRNTHTGQIQGSLIHVKDTKAGVHTF
LGIPFAKPPVGPLRFAPPEAPEPWSGVRDGTAHPAMCLQNLDMLNEAGLPDMKMMLSSFP
MSEDCLYLNIYTPAHAHEGSNLPVMVWIHGGALVIGMASMFDGSLLTVNEDLVVVTIQYR
LGVLGFFSTGDQHARGNWGYLDQAAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSHV
VSPMSQGLFHGAIMESGVALLPDLISETSEMVSTTVAKLSGCEAMDSQALVRCLRGKSEA
EILAINKVFKMIPAVVDGEFFPRHPKELLASEDFHPVPSIIGVNNDEFGWSIPVVMGSAQ
MIKGITRENLQAVLKDTAVQMMLPPECSDLLMEEYMGDTEDAQTLQIQFTEMMGDFMFVI
PALQVAHFQRSHAPVYFYEFQHPPSYFKDVRPPHVKADHADEIPFVFASFFWGMKLDFTE
EEELLSRRMMKYWANFARHGNPNSEGLPYWPVMDHDEQYLQLDIQPAVGRALKAGRLQFW
TKTLPQKIQELKASQDKHREL
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BDBM50371962 |
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n/a |
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Name | BDBM50371962 |
Synonyms: | CHEMBL155396 |
Type | Small organic molecule |
Emp. Form. | C9H15F3O2S |
Mol. Mass. | 244.274 |
SMILES | CCCCCCS(=O)CC(=O)C(F)(F)F |
Structure |
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