| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cocaine esterase |
|---|
| Ligand | BDBM50371961 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_464384 (CHEMBL930033) |
|---|
| IC50 | 7.4±n/a nM |
|---|
| Citation |  Wheelock, CE; Nishi, K; Ying, A; Jones, PD; Colvin, ME; Olmstead, MM; Hammock, BD Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH). Bioorg Med Chem16:2114-30 (2008) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cocaine esterase |
|---|
| Name: | Cocaine esterase |
|---|
| Synonyms: | CES2 | Carboxylesterase 2 | EST2_HUMAN | ICE |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 61801.08 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | ChEMBL_1494240 |
|---|
| Residue: | 559 |
|---|
| Sequence: | MRLHRLRARLSAVACGLLLLLVRGQGQDSASPIRTTHTGQVLGSLVHVKGANAGVQTFLG
IPFAKPPLGPLRFAPPEPPESWSGVRDGTTHPAMCLQDLTAVESEFLSQFNMTFPSDSMS
EDCLYLSIYTPAHSHEGSNLPVMVWIHGGALVFGMASLYDGSMLAALENVVVVIIQYRLG
VLGFFSTGDKHATGNWGYLDQVAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSLVVS
PISQGLFHGAIMESGVALLPGLIASSADVISTVVANLSACDQVDSEALVGCLRGKSKEEI
LAINKPFKMIPGVVDGVFLPRHPQELLASADFQPVPSIVGVNNNEFGWLIPKVMRIYDTQ
KEMDREASQAALQKMLTLLMLPPTFGDLLREEYIGDNGDPQTLQAQFQEMMADSMFVIPA
LQVAHFQCSRAPVYFYEFQHQPSWLKNIRPPHMKADHGDELPFVFRSFFGGNYIKFTEEE
EQLSRKMMKYWANFARNGNPNGEGLPHWPLFDQEEQYLQLNLQPAVGRALKAHRLQFWKK
ALPQKIQELEEPEERHTEL
|
|
|
|---|
| BDBM50371961 |
|---|
| n/a |
|---|
| Name | BDBM50371961 |
|---|
| Synonyms: | CHEMBL270373 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C11H19F3O2S |
|---|
| Mol. Mass. | 272.328 |
|---|
| SMILES | CCCCCCCCS(=O)CC(=O)C(F)(F)F |
|---|
| Structure | 
|
|---|
Search and Browse
