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Target
Cocaine esterase
Ligand
BDBM50131270
Substrate
n/a
Meas. Tech.
ChEMBL_1491909 (CHEMBL3528578)
Ki
2300±n/a nM
Citation
 Kobayashi, Y; Fukami, T; Shimizu, M; Nakajima, M; Yokoi, T Contributions of arylacetamide deacetylase and carboxylesterase 2 to flutamide hydrolysis in human liver. Drug Metab Dispos 40:1080-4 (2012) [PubMed]  Article 
Target
Name:
Cocaine esterase
Synonyms:
CES2 | Carboxylesterase 2 | EST2_HUMAN | ICE
Type:
PROTEIN
Mol. Mass.:
61801.08
Organism:
Human
Description:
ChEMBL_1494240
Residue:
559
Sequence:
MRLHRLRARLSAVACGLLLLLVRGQGQDSASPIRTTHTGQVLGSLVHVKGANAGVQTFLGIPFAKPPLGPLRFAPPEPPESWSGVRDGTTHPAMCLQDLTAVESEFLSQFNMTFPSDSMSEDCLYLSIYTPAHSHEGSNLPVMVWIHGGALVFGMASLYDGSMLAALENVVVVIIQYRLGVLGFFSTGDKHATGNWGYLDQVAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSLVVSPISQGLFHGAIMESGVALLPGLIASSADVISTVVANLSACDQVDSEALVGCLRGKSKEEILAINKPFKMIPGVVDGVFLPRHPQELLASADFQPVPSIVGVNNNEFGWLIPKVMRIYDTQKEMDREASQAALQKMLTLLMLPPTFGDLLREEYIGDNGDPQTLQAQFQEMMADSMFVIPALQVAHFQCSRAPVYFYEFQHQPSWLKNIRPPHMKADHGDELPFVFRSFFGGNYIKFTEEEEQLSRKMMKYWANFARNGNPNGEGLPHWPLFDQEEQYLQLNLQPAVGRALKAHRLQFWKKALPQKIQELEEPEERHTEL
  
Inhibitor
Name:
BDBM50131270
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
Type:
Small organic molecule
Emp. Form.:
C11H11F3N2O3
Mol. Mass.:
276.2118
SMILES:
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Structure:
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