Showing entry for Acetylcysteine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0033112
Compound NameAcetylcysteine
Structure
FormulaC5H9NO3S
InchiKeyPWKSKIMOESPYIA-BYPYZUCNSA-N
SMILESSC[C@@H](C(=O)O)N=C(O)C
InchiInChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
IUPAC(2R)-2-acetamido-3-sulfanylpropanoic acid
Molecular Weight163.03
Pubchem Id12035
Chembl IdCHEMBL600
Targets of Information Source
DrugBank DB06151
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P48637 BXGT010649 Glutathione synthetase reviewed Enzyme GSS approved; investigational stimulator
Q9UPY5 BXGT021803 Cystine/glutamate transporter reviewed Transporter SLC7A11 approved; investigational reducer
Q03154 BXGT012698 Aminoacylase-1 reviewed - ACY1 approved; investigational ligand
O14920 BXGT004110 Inhibitor of nuclear factor kappa-B kinase subunit beta reviewed Kinase IKBKB approved; investigational inhibitor
O15111 BXGT004126 Inhibitor of nuclear factor kappa-B kinase subunit alpha reviewed Kinase CHUK approved; investigational inhibitor
Q13224 BXGT013328 Glutamate receptor ionotropic, NMDA 2B reviewed Ion channel GRIN2B approved; investigational activator
Q05586 BXGT012826 Glutamate receptor ionotropic, NMDA 1 reviewed Ion channel GRIN1 approved; investigational activator
Q12879 BXGT013275 Glutamate receptor ionotropic, NMDA 2A reviewed Ion channel GRIN2A approved; investigational activator
O15399 BXGT004164 Glutamate receptor ionotropic, NMDA 2D reviewed Ion channel GRIN2D approved; investigational activator
Q8TCU5 BXGT018802 Glutamate receptor ionotropic, NMDA 3A reviewed Ion channel GRIN3A approved; investigational activator
PDB SC2
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
P61626 BXGT011382 Lysozyme C reviewed LYZ - - - - -
Q15485 BXGT013574 Ficolin-2 reviewed FCN2 Signaling - - - -
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed GAA Enzyme - - 11570000 -
Binding DB 50420190
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 - 3160000 - -
reviewed BXGT004543 Solute carrier family 22 member 6 reviewed Slc22a6 2000000 - - -
CHEMBL CHEMBL600
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 11220 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 1584 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 31622 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 25118 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 562 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 237 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 1412 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 1122 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 1000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Activity - - -
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 1412 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 26854 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 8436 nM
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Inhibition '=' 15 %
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 IC50 '=' 3160000 nM
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 IC50 '=' 3160000 nM
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 IC50 '=' 3160000 nM
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 IC50 '=' 3160000 nM
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 IC50 '=' 3160000 nM
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 IC50 '=' 3160000 nM
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 IC50 '=' 3160000 nM
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 IC50 '=' 3160000 nM
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 IC50 '=' 3160000 nM
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 IC50 '=' 3160000 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 IC50 '=' 3160000 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 25 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 35481 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 82 %
Q99R76 BXGT020004 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) reviewed - crtN Survival '=' 53 %
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 37933 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 26679 nM
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Potency - 31622 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 28183 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 40533 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 31622 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 5804 nM
O35956 BXGT004543 Solute carrier family 22 member 6 reviewed - Slc22a6 Ki '=' 2000000 nM
O35956 BXGT004543 Solute carrier family 22 member 6 reviewed - Slc22a6 Activity - - -
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 2 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 4466 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 259 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 12589 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 50118 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 39810 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 20 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 89125 nM
Q8NUQ6 BXGT018615 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) reviewed - crtN Survival '=' 54 %
Q2FDU6 BXGT013995 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) reviewed - crtN Survival '=' 52 %
Q99R76 BXGT020004 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) reviewed - crtN Survival '=' 24 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 89 %
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 Ratio '=' 1 -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00008 Garlic Allium sativum Herbs and Spices
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease