Showing entry for alpha-Lipoic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002971
Compound Namealpha-Lipoic acid
Structure
FormulaC8H14O2S2
InchiKeyAGBQKNBQESQNJD-UHFFFAOYSA-N
SMILESOC(=O)CCCCC1CCSS1
InchiInChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
IUPAC5-(1,2-dithiolan-3-yl)pentanoic acid
Molecular Weight206.33
Pubchem Id864
Chembl IdCHEMBL33864
Targets of Information Source
DrugBank n.a
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
PDB n.a
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
Binding DB 10515
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 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - >1000000 - -
reviewed BXGT006430 Cholinesterase reviewed BCHE - >1000000 - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 25500 - - -
reviewed BXGT012771 Eukaryotic translation initiation factor 4 gamma 1 reviewed Nucleic acid binding EIF4G1 - 16560 - -
reviewed BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 - 4740 - -
CHEMBL CHEMBL33864
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
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 1778 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 IC50 '=' 620 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 620 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Potency - 70794 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 15848 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 344 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 501 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 3162 nM
P63073 BXGT011490 Eukaryotic translation initiation factor 4E reviewed - Eif4e IC50 - 16560 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 3162 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 37578 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35481 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 14 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 50118 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 25118 nM
Q9UBT2 BXGT021663 SUMO-activating enzyme subunit 2 reviewed Enzyme UBA2 IC50 '=' 4740 nM
Q9UBE0 BXGT021651 SUMO-activating enzyme subunit 1 reviewed Enzyme SAE1 IC50 '=' 4740 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 79432 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 707 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 1122 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 6701 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 2818 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 2818 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 39810 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 32642 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 28183 nM
P9WMN3 BXGT012396 Bifunctional protein GlmU reviewed - glmU IC50 '=' 3910 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 66824 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 15848 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 1000 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 25118 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 1000 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 1000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 398 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 163 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 2818 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 477 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 63 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 1995 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 891 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 14125 nM
P04608 BXGT006236 Protein Tat reviewed - tat IC50 - 5891 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 89125 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 48557 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 7079 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00034 Broccoli Brassica oleracea var. italica Vegetables
BXGF00178 Spinach Spinacia oleracea Vegetables
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