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TargetCocaine esterase
LigandBDBM50131270
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1491909 (CHEMBL3528578)
Ki 2300±n/a nM
Citation Kobayashi, YFukami, TShimizu, MNakajima, MYokoi, T Contributions of arylacetamide deacetylase and carboxylesterase 2 to flutamide hydrolysis in human liver. Drug Metab Dispos40:1080-4 (2012) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50131270
n/a
NameBDBM50131270
Synonyms:2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | 4'-nitro-3'-trifluoromethylisobutyranilide | CHEMBL806 | Eulexin | FLUTAMIDE | Niftolide | alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide | niftolid
TypeSmall organic molecule
Emp. Form.C11H11F3N2O3
Mol. Mass.276.2118
SMILESCC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Structure
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