Showing entry for Agmatine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004285
Compound NameAgmatine
Structure
FormulaC5H14N4
InchiKeyQYPPJABKJHAVHS-UHFFFAOYSA-N
SMILESNCCCCNC(N)=N
InchiInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
IUPAC1-(4-aminobutyl)guanidine
Molecular Weight130.19
Pubchem Id199
Chembl IdCHEMBL58343
Targets of Information Source
DrugBank DB08838
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
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C experimental agonist
Q9Y2I1 BXGT022235 Nischarin reviewed Enzyme modulator NISCH experimental agonist
P02708 BXGT005927 Acetylcholine receptor subunit alpha reviewed Ion channel CHRNA1 experimental antagonist
Q05586 BXGT012826 Glutamate receptor ionotropic, NMDA 1 reviewed Ion channel GRIN1 experimental antagonist
P48048 BXGT010610 ATP-sensitive inward rectifier potassium channel 1 reviewed Ion channel KCNJ1 experimental antagonist
Q00975 BXGT012558 Voltage-dependent N-type calcium channel subunit alpha-1B reviewed Ion channel CACNA1B experimental antagonist
Q9UHC3 BXGT021695 Acid-sensing ion channel 3 reviewed Ion channel ASIC3 experimental agonist
PDB AG2
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
Q57764 BXGT015132 Pyruvoyl-dependent arginine decarboxylase reviewed pdaD - - - - -
O28025 BXGT004294 tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS reviewed tiaS - - - - -
Q9BHM6 BXGT020094 Octopine dehydrogenase reviewed odh1 - - - - -
Q7MK24 BXGT017031 Biosynthetic arginine decarboxylase reviewed speA - - - - -
O32323 BXGT004437 Homospermidine synthase reviewed hss - - - - -
A3UNN4 BXGT001201 Putative NAD(+)--arginine ADP-ribosyltransferase Vis reviewed V12B01_18061 - - - - -
P60061 BXGT011291 Arginine/agmatine antiporter reviewed adiC - - - - -
Q0P9V0 BXGT013124 Putative peptidyl-arginine deiminase family protein unreviewed Cj0949c - - - - -
Binding DB 85213
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 BXGT014808 Nischarin reviewed Nisch >10000 - - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - 100000 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 100000 - -
reviewed BXGT016208 Deoxyhypusine synthase reviewed Dhps - 156000 - -
reviewed BXGT014808 Nischarin reviewed Nisch - 36532 - -
reviewed BXGT004927 Polyamine oxidase 1 reviewed MPAO1 3000 - - -
reviewed BXGT016060 Solute carrier family 22 member 1 reviewed Slc22a1 8600000 - - -
reviewed BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 24000000 - - -
CHEMBL CHEMBL58343
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
O15244 BXGT004140 Solute carrier family 22 member 2 reviewed Transporter SLC22A2 Km '=' 1400000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 31622 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 562 nM
O64411 BXGT004927 Polyamine oxidase 1 reviewed - MPAO1 Ki '=' 3000 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Inhibition '=' 2 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
Q4G017 BXGT014808 Nischarin reviewed - Nisch IC50 '=' 36532 nM
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ki '=' 31700 nM
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 31700 nM
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ki '=' 31700 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 100000 nM
Q6AY53 BXGT016208 Deoxyhypusine synthase reviewed - Dhps IC50 '=' 156000 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 354 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 8414 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Activity - - -
O88446 BXGT005272 Solute carrier family 22 member 3 reviewed - Slc22a3 Km '=' 900000 nM
Q63089 BXGT016060 Solute carrier family 22 member 1 reviewed - Slc22a1 Ki '=' 8600000 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
O75751 BXGT005150 Solute carrier family 22 member 3 reviewed Transporter SLC22A3 Km '=' 2500000 nM
Q63089 BXGT016060 Solute carrier family 22 member 1 reviewed - Slc22a1 Activity - - -
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Ki '=' 24000000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6683 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 2511 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 5623 nM
Q9R0W2 BXGT021408 Solute carrier family 22 member 2 reviewed - Slc22a2 Km '=' 950000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 100000 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 12589 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00085 Soy bean Glycine max Soy
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00096 Grass pea Lathyrus sativus Pulses
BXGF00148 Almond Prunus dulcis Nuts
BXGF00170 Sesame Sesamum orientale Herbs and Spices
BXGF00466 Winged bean Psophocarpus tetragonolobus Pulses
BXGF01848 Pyrus pyraster Pyrus pyraster Medicinal Plant
BXGF02094 Astragalus oxyphysus Astragalus oxyphysus Others
BXGF02497 Hydrodictyon reticulatum Hydrodictyon reticulatum Human Edible Plant
BXGF02801 Senecio candollei Senecio candollei Others
BXGF02849 Polyscias scutellaria Polyscias scutellaria Medicinal Plant
BXGF02871 Centaurea glastifolia Centaurea glastifolia Others
BXGF02902 Grindelia havardii Grindelia havardii Others
BXGF02918 Nephelium maingayi Nephelium maingayi Human Edible Plant
BXGF02934 Galanthus nivalis Galanthus nivalis Medicinal Plant
BXGF02954 Euphorbia armena Euphorbia armena Others
BXGF03176 Capparis masaikai Capparis masaikai Medicinal Plant
BXGF03221 Nectandra pichurim Nectandra pichurim Human Edible Plant
BXGF03496 Pityrogramma tartarea Pityrogramma tartarea Others
BXGF06109 Cuscuta reflexa Cuscuta reflexa Medicinal Plant
BXGF06113 Plantago depressa Plantago depressa 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