Showing entry for Berberine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0047281
Compound NameBerberine
Structure
FormulaC20H18NO4
InchiKeyYBHILYKTIRIUTE-UHFFFAOYSA-N
SMILESCOc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1
InchiInChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
IUPAC
Molecular Weight336.12
Pubchem Id2353
Chembl IdCHEMBL295124
Targets of Information Source
DrugBank DB04115
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
P0A0N5 BXGT006975 HTH-type transcriptional regulator QacR reviewed - qacR approved; investigational -
O15392 BXGT004162 Baculoviral IAP repeat-containing protein 5 reviewed Enzyme modulator BIRC5 approved; investigational -
PDB BER
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
P0A0N4 BXGT006974 HTH-type transcriptional regulator QacR reviewed qacR - - - - -
P59071 BXGT011259 Basic phospholipase A2 VRV-PL-VIIIa reviewed - - - 1450 -
P0A0N3 BXGT006973 HTH-type transcriptional regulator QacR reviewed qacR - - - - -
P39075 BXGT010091 Multidrug-efflux transporter 1 regulator reviewed bmrR - - - - -
A0A0F6AY66 BXGT000179 Putative regulatory protein unreviewed STM14_0676 - - - - -
P00592 BXGT005593 Phospholipase A2, major isoenzyme reviewed PLA2G1B - - - - -
Q06GJ0 BXGT012903 Beta-hexosaminidase unreviewed - 12000 - - -
P11797 BXGT007747 Chitinase B reviewed chiB - - - - -
Binding DB 50203126
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 BXGT019693 Sentrin-specific protease 8 reviewed SENP8 - 7660 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 770 - -
reviewed BXGT006080 Neuraminidase reviewed NA - 38500 - -
reviewed BXGT006080 Neuraminidase reviewed NA - 32200 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 100 - -
reviewed BXGT006430 Cholinesterase reviewed BCHE - 1090 - -
reviewed BXGT007178 Cell division protein FtsZ reviewed ftsZ - 10000 - -
reviewed BXGT007178 Cell division protein FtsZ reviewed ftsZ - 16000 - -
reviewed BXGT011959 Cholinesterase reviewed BCHE - 18200 - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache 289 - - -
reviewed BXGT011959 Cholinesterase reviewed BCHE 9200 - - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache - 374 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 40 - -
reviewed BXGT006430 Cholinesterase reviewed BCHE - 18970 - -
reviewed BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT - 37000 - -
reviewed BXGT010620 Prolyl endopeptidase reviewed Enzyme PREP - 145000 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 610 - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache - 2740 - -
reviewed BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 - 66069.34 - -
reviewed BXGT011959 Cholinesterase reviewed BCHE - 18210 - -
CHEMBL CHEMBL295124
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
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 5011 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE IC50 '=' 18200 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 15848 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 4547 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 2511 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 12589 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 9976 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 12589 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 39810 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 39810 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 44668 nM
Q9UGI9 BXGT021682 5'-AMP-activated protein kinase subunit gamma-3 reviewed Enzyme modulator PRKAG3 Activity - - -
Q13131 BXGT013314 5'-AMP-activated protein kinase catalytic subunit alpha-1 reviewed Kinase PRKAA1 Activity - - -
Q9Y478 BXGT022271 5'-AMP-activated protein kinase subunit beta-1 reviewed Kinase PRKAB1 Activity - - -
Q9UGJ0 BXGT021683 5'-AMP-activated protein kinase subunit gamma-2 reviewed Enzyme modulator PRKAG2 Activity - - -
P54619 BXGT011060 5'-AMP-activated protein kinase subunit gamma-1 reviewed Kinase PRKAG1 Activity - - -
O43741 BXGT004620 5'-AMP-activated protein kinase subunit beta-2 reviewed Enzyme modulator PRKAB2 Activity - - -
P54646 BXGT011062 5'-AMP-activated protein kinase catalytic subunit alpha-2 reviewed Kinase PRKAA2 Activity - - -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 3154 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT IC50 '=' 37000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '=' 374 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 5011 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 2511 nM
P20711 BXGT008594 Aromatic-L-amino-acid decarboxylase reviewed - DDC IC50 - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 IC50 '=' 66069 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 44 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 2511 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 19 %
O94956 BXGT005343 Solute carrier organic anion transporter family member 2B1 reviewed Transporter SLCO2B1 Inhibition '=' 18 %
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 7079 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P0A031 BXGT006961 Cell division protein FtsZ reviewed - ftsZ Activity - - -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 32 %
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 7937 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 67000 nM
P03469 BXGT006080 Neuraminidase reviewed - NA IC50 '=' 38500 nM
P03469 BXGT006080 Neuraminidase reviewed - NA IC50 '=' 32200 nM
P30122 BXGT009406 Bile salt-activated lipase reviewed - CEL IC50 '=' 106 ug.mL-1
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 100 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '=' 1600 nM
P06276 BXGT006430 Cholinesterase reviewed - BCHE IC50 '=' 1090 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE IC50 '=' 9400 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 12589 nM
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES Inhibition '=' 71 %
P00403 BXGT026137 Cytochrome c oxidase subunit 2 reviewed Enzyme MT-CO2 Inhibition '=' 15 %
Q9Y478 BXGT022271 5'-AMP-activated protein kinase subunit beta-1 reviewed Kinase PRKAB1 Activity - - -
P54619 BXGT011060 5'-AMP-activated protein kinase subunit gamma-1 reviewed Kinase PRKAG1 Activity - - -
P54646 BXGT011062 5'-AMP-activated protein kinase catalytic subunit alpha-2 reviewed Kinase PRKAA2 Activity - - -
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 330 nM
P03468 BXGT006079 Neuraminidase reviewed - NA Ki '=' 14300 nM
P00403 BXGT026137 Cytochrome c oxidase subunit 2 reviewed Enzyme MT-CO2 Inhibition '=' 16 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00405 Quinoa Chenopodium quinoa Herbs and Spices
BXGF00951 Chrysanthemum myconis Chrysanthemum myconis Others
BXGF00990 Hydrastis canadensis Hydrastis canadensis Medicinal Plant
BXGF01025 Andira retusa Andira retusa Others
BXGF01052 Artabotrys maingayi Artabotrys maingayi Medicinal Plant
BXGF01105 Baeckea frutescens Baeckea frutescens Medicinal Plant
BXGF01106 Euphorbia fortissima Euphorbia fortissima Medicinal Plant
BXGF01147 Chelidonium majus Chelidonium majus Medicinal Plant
BXGF01198 Marrubium parviflorum Marrubium parviflorum Others
BXGF01203 Berberis fortunei Berberis fortunei Medicinal Plant
BXGF01249 Dyssodia anthemidifolia Dyssodia anthemidifolia Others
BXGF01285 Psathyrotes ramosissima Psathyrotes ramosissima Others
BXGF01298 Lychnophora pinaster Lychnophora pinaster Others
BXGF01328 Theobroma speciosum Theobroma speciosum Medicinal Plant
BXGF01486 Lespedeza maximowiczi Lespedeza maximowiczi Others
BXGF01569 Coprosma foetidissima Coprosma foetidissima Medicinal Plant
BXGF01659 Microglossa pyrifolia Microglossa pyrifolia Medicinal Plant
BXGF01696 Coptis japonica Coptis japonica Medicinal Plant
BXGF01723 Erythrophleum suaveolens Erythrophleum suaveolens Medicinal Plant
BXGF01731 Corydalis turtschaninovii Corydalis turtschaninovii Human Edible Plant
BXGF01736 Cissampelos pareira Cissampelos pareira Medicinal Plant
BXGF01752 Corydalis decumbens Corydalis decumbens Medicinal Plant
BXGF01759 Parthenium confertum Parthenium confertum Others
BXGF01796 Harpullia cupanioides Harpullia cupanioides Others
BXGF01819 Trifolium diffusum Trifolium diffusum Others
BXGF01820 Androsace septentrionalis Androsace septentrionalis Others
BXGF01825 Youngia japonica Youngia japonica Medicinal Plant
BXGF01838 Dunaliella salina Dunaliella salina Human Edible Plant
BXGF01847 Eriocephalus kingesii Eriocephalus kingesii Others
BXGF01877 Balanophora polyandra Balanophora polyandra Medicinal Plant
BXGF01896 Lilium brownii Lilium brownii Medicinal Plant
BXGF01923 Lilium rubrum Lilium rubrum Others
BXGF01943 Lobelia syphilitica Lobelia syphilitica Others
BXGF02010 Cryptocarya chinensis Cryptocarya chinensis Medicinal Plant
BXGF02106 Citrus medica Citrus medica Medicinal Plant
BXGF02151 Isodon wikstroemioides Isodon wikstroemioides Others
BXGF02184 Panicum crus-galli Panicum crus-galli Medicinal Plant
BXGF02185 Calocephalus knappii Calocephalus knappii Others
BXGF02210 Scleropyrum wallichianum Scleropyrum wallichianum Medicinal Plant
BXGF02254 Thuja plicata Thuja plicata Medicinal Plant
BXGF02273 Trifolium dubium Trifolium dubium Medicinal Plant
BXGF02455 Cyperus nipponicus Cyperus nipponicus Others
BXGF02862 Isodon eriocalyx Isodon eriocalyx Others
BXGF02890 Veronica stricta Veronica stricta Others
BXGF02986 Dendrobium amplum Dendrobium amplum Others
BXGF03013 Dalbergia spruceana Dalbergia spruceana Medicinal Plant
BXGF03130 Panax quinquefolius Panax quinquefolius Medicinal Plant
BXGF03134 Zanthoxylum ocumarense Zanthoxylum ocumarense Others
BXGF03280 Pilosocereus chrysacanthus Pilosocereus chrysacanthus Human Edible Plant
BXGF03333 Nuxia sphaerocephala Nuxia sphaerocephala Medicinal Plant
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03437 Alhagi maurorum Alhagi maurorum Medicinal Plant
BXGF03464 Senna spectabilis Senna spectabilis Medicinal Plant
BXGF03498 Coptis deltoidea Coptis deltoidea Medicinal Plant
BXGF03538 Notholaena schaffneri Notholaena schaffneri Others
BXGF03578 Horsfieldia glabra Horsfieldia glabra Medicinal Plant
BXGF03612 Symphytum officinale Symphytum officinale Medicinal Plant
BXGF03640 Fibraurea recisa Fibraurea recisa Medicinal Plant
BXGF03764 Psacalium peltatum Psacalium peltatum Medicinal Plant
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF03830 Diospyros ebenum Diospyros ebenum Medicinal Plant
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF03971 Corydalis ophiocarpa Corydalis ophiocarpa Medicinal Plant
BXGF04006 Corydalis ternata Corydalis ternata Others
BXGF04038 Plectranthus ernstii Plectranthus ernstii Others
BXGF04055 Teclea sudanica Teclea sudanica Others
BXGF04063 Mezzettia leptopoda Mezzettia leptopoda Others
BXGF04119 Stachys plumosa Stachys plumosa Others
BXGF04178 Piper methysticum Piper methysticum Medicinal Plant
BXGF04189 Phymatopteris hastata Phymatopteris hastata Others
BXGF04190 Lappula echinata Lappula echinata Medicinal Plant
BXGF04237 Ligularia sagitta Ligularia sagitta Medicinal Plant
BXGF04256 Phellodendron chinese Phellodendron chinese Others
BXGF04498 Cussonia racemosa Cussonia racemosa Others
BXGF04508 Eupatorium glandulosum Eupatorium glandulosum Medicinal Plant
BXGF04568 Sideritis ferrensis Sideritis ferrensis Others
BXGF04599 Radula voluta Radula voluta Others
BXGF04707 Euphorbia broteri Euphorbia broteri Others
BXGF04714 Zamia spiralis Zamia spiralis Others
BXGF04784 Coptis teeta Coptis teeta Medicinal Plant
BXGF04806 Ulex airensis Ulex airensis Others
BXGF05074 Chaetomorpha moniligera Chaetomorpha moniligera Others
BXGF05106 Geranium collinum Geranium collinum Others
BXGF05274 Lilium lancifolium Lilium lancifolium Medicinal Plant
BXGF05384 Polygonatum polyanthemum Polygonatum polyanthemum Others
BXGF05506 Coptis chinensis Coptis chinensis Medicinal Plant
BXGF05607 Chenopodiastrum murale Chenopodiastrum murale Medicinal Plant
BXGF05610 Girgensohnia oppositiflora Girgensohnia oppositiflora Others
BXGF05617 Astragalus trojanus Astragalus trojanus Medicinal Plant
BXGF05694 Piper retrofractum Piper retrofractum Medicinal Plant
BXGF05771 Davidsonia pruriens Davidsonia pruriens Human Edible Plant
BXGF05841 Aloe saponaria Aloe saponaria Medicinal Plant
BXGF05931 Lilium pumilum Lilium pumilum Medicinal Plant
BXGF05957 Artocarpus incisa Artocarpus incisa Medicinal Plant
BXGF05982 Ligularia nelumbifolia Ligularia nelumbifolia Medicinal Plant
BXGF05994 Corydalis yanhusuo Corydalis yanhusuo Medicinal Plant
BXGF06057 Berberis oblonga Berberis oblonga Medicinal Plant
BXGF06065 Aralia hispida Aralia hispida Medicinal Plant
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