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TargetCocaine esterase
LigandBDBM50171925
Substrate/Competitorn/a
Meas. Tech.ChEMBL_303811 (CHEMBL827070)
Ki 573±n/a nM
Citation Hyatt, JLStacy, VWadkins, RMYoon, KJWierdl, MEdwards, CCZeller, MHunter, ADDanks, MKCrundwell, GPotter, PM Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. J Med Chem48:5543-50 (2005) [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
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  Blast E-value cutoff:
BDBM50171925
n/a
NameBDBM50171925
Synonyms:1,2-Bis-(4-bromo-thiophen-2-yl)-ethane-1,2-dione | 1,2-bis(4-bromothiophen-2-yl)ethane-1,2-dione | CHEMBL190672
TypeSmall organic molecule
Emp. Form.C10H4Br2O2S2
Mol. Mass.380.076
SMILESBrc1csc(c1)C(=O)C(=O)c1cc(Br)cs1
Structure
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