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Inhibitor Report for: Cocaine

Name Class
CocaineType (5)
Other_Name (9)
Chemical_Nomenclature2beta-carbomethoxy-3beta-benzoyloxytropane hydrochloride
FormulaC17H21NO4.HCl
CAS_number53-21-4
MW339.82
Kinetic_parameter (13)
Paper (15)
Structure3O9M
CommentCocaine is a tropane alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons. Cocaine binds to the dopamine, serotonin, and norepinephrine transport proteins and inhibits the re-uptake of dopamine, serotonin, and norepinephrine into pre-synaptic neurons. This leads to an accumulation of the respective neurotransmitters in the synaptic cleft and may result in increased postsynaptic receptor activation. The mechanism of action through which cocaine exerts its local anesthetic effects is by binding to and blocking the voltage-gated sodium channels in the neuronal cell membrane. By stabilizing neuronal membranes, cocaine inhibits the initiation and conduction of nerve impulses and produces a reversible loss of sensation. (from PubChem) Cocaine is hydrolized by BChE and very efficiently by mutants of BChE
Gene_locushuman-BCHE
Kin_InhibitorCocaine
CID446220
FamilyBCHE
InChIKeyZPUCINDJVBIVPJ-LJISPDSOSA-N
CanonicalSMILESCN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
InChIInChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
IupharLig2286
WikipediaCocaine

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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