Showing entry for Spermine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002390
Compound NameSpermine
Structure
FormulaC10H26N4
InchiKeyPFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILESNCCCNCCCCNCCCN
InchiInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
IUPAC(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine
Molecular Weight202.34
Pubchem Id1103
Chembl IdCHEMBL23194
Targets of Information Source
DrugBank DB00127
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
P52788 BXGT010953 Spermine synthase reviewed - SMS experimental; nutraceutical ligand
Q9NWM0 BXGT021232 Spermine oxidase reviewed - SMOX experimental; nutraceutical binder
P11926 BXGT007760 Ornithine decarboxylase reviewed Enzyme ODC1 experimental; nutraceutical product of
P41180 BXGT010230 Extracellular calcium-sensing receptor reviewed G-protein coupled receptor CASR experimental; nutraceutical -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 experimental; nutraceutical -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 experimental; nutraceutical -
PDB SPM
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
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed TDP1 Enzyme - - - -
D9N164 BXGT003030 Inward rectifier potassium channel Kirbac3.1 reviewed - - - - -
P50264 BXGT010787 Polyamine oxidase FMS1 reviewed FMS1 - - - - -
P0AE22 BXGT007299 Class B acid phosphatase reviewed aphA - - - - -
Q8X1D8 BXGT019032 Nitroalkane oxidase reviewed - ~200000000 - - -
Q8II73 BXGT018273 Spermidine synthase unreviewed PF3D7_1129000 - - - - -
P48026 BXGT010605 Diamine acetyltransferase 1 reviewed Sat1 - - - - -
P52788 BXGT010953 Spermine synthase reviewed SMS - - - - -
O64411 BXGT004927 Polyamine oxidase 1 reviewed MPAO1 - - - - -
P00918 BXGT005690 Carbonic anhydrase 2 reviewed CA2 - - - - -
D4AEP7 BXGT002922 Albumin-2 reviewed - - - - -
P9WFR9 BXGT012248 Thymidylate synthase ThyA reviewed thyA - - - - -
Q9FCA6 BXGT020361 Biflaviolin synthase CYP158A2 reviewed cyp158a2 - - - - -
P34036 BXGT009748 Dynein heavy chain, cytoplasmic reviewed dhcA - - - - -
Q9KL03 BXGT020937 Spermidine N(1)-acetyltransferase reviewed speG - - - - -
Q73WE5 BXGT023717 HIT domain-containing protein unreviewed MAP_2715c - - - - -
P00044 BXGT005443 Cytochrome c iso-1 reviewed CYC1 - - - - -
A0A0G3E2X5 BXGT025814 Spermidine N1-acetyltransferase unreviewed speG - - - - -
P49366 BXGT025175 Deoxyhypusine synthase reviewed DHPS - - - - -
Binding DB 79403
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 BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 14303 - -
reviewed BXGT011358 Ubiquitin-conjugating enzyme E2 N reviewed UBE2N - 15610 - -
reviewed BXGT012931 Bcl-2-related protein A1 reviewed Bcl2a1 - >20000 - -
reviewed BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed Grin1 2000 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 231000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 84000 - - -
reviewed BXGT006627 Carbonic anhydrase 3 reviewed CA3 167000 - - -
reviewed BXGT008802 Carbonic anhydrase 4 reviewed CA4 10 - - -
reviewed BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed CA5A 840 - - -
reviewed BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed CA5B 830 - - -
reviewed BXGT008844 Carbonic anhydrase 6 reviewed CA6 990 - - -
reviewed BXGT010364 Carbonic anhydrase 7 reviewed CA7 710 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 13300 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 27600 - - -
reviewed BXGT020260 Carbonic anhydrase 13 reviewed Ca13 22600 - - -
reviewed BXGT021769 Carbonic anhydrase 14 reviewed CA14 860 - - -
reviewed BXGT019994 Carbonic anhydrase 15 reviewed Ca15 74000 - - -
reviewed BXGT010318 Caspase-2 reviewed Enzyme CASP2 - - - 8500
CHEMBL CHEMBL23194
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
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 27600 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 25118 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 25118 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB FC '=' 0 -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 15848 nM
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 10 nM
Q9D6N1 BXGT020260 Carbonic anhydrase 13 reviewed - Ca13 Ki '=' 22600 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 7943 nM
P61073 BXGT011352 C-X-C chemokine receptor type 4 reviewed G-protein coupled receptor CXCR4 Inhibition - - -
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Rate '=' 0 delta OD340 min-1
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Rate '=' 0 delta OD340 min-1
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Rate '=' 0 delta OD340 min-1
Q12879 BXGT013275 Glutamate receptor ionotropic, NMDA 2A reviewed Ion channel GRIN2A Activity - - -
Q05586 BXGT012826 Glutamate receptor ionotropic, NMDA 1 reviewed Ion channel GRIN1 Activity - - -
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 25118 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 13300 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 100000 nM
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a EC50 '=' 5200 nM
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b EC50 '=' 5200 nM
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d EC50 '=' 5200 nM
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c EC50 '=' 5200 nM
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b EC50 '=' 5200 nM
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a EC50 '=' 5200 nM
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 EC50 '=' 5200 nM
Q9ULX7 BXGT021769 Carbonic anhydrase 14 reviewed - CA14 Ki '=' 860 nM
Q9H015 BXGT020432 Solute carrier family 22 member 4 reviewed Transporter SLC22A4 Activity - - -
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 891 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 37933 nM
P42575 BXGT010318 Caspase-2 reviewed Enzyme CASP2 EC50 '=' 8500 nM
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 Activity - - -
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a IC50 '=' 232000 nM
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b IC50 '=' 232000 nM
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d IC50 '=' 232000 nM
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c IC50 '=' 232000 nM
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b IC50 '=' 232000 nM
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a IC50 '=' 232000 nM
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 IC50 '=' 232000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA FC '=' 0 -
P35218 BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed - CA5A Ki '=' 840 nM
P14100 BXGT007985 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A reviewed - PDE1A IC50 '>' 500000 nM
Q01061 BXGT012562 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B reviewed - PDE1B IC50 '>' 500000 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 7943 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Equilibrium OD340 '=' 0 -
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Equilibrium OD340 '=' 0 -
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Equilibrium OD340 '=' 0 -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P07451 BXGT006627 Carbonic anhydrase 3 reviewed - CA3 Ki '=' 167000 nM
Q9Y2D0 BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed - CA5B Ki '=' 830 nM
P42575 BXGT010318 Caspase-2 reviewed Enzyme CASP2 Activity - - -
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 231000 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 6309 nM
Q99N23 BXGT019994 Carbonic anhydrase 15 reviewed - Ca15 Ki '=' 74000 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 7943 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '=' 84000 nM
P23280 BXGT008844 Carbonic anhydrase 6 reviewed - CA6 Ki '=' 990 nM
Q9TTK6 BXGT021624 Membrane primary amine oxidase reviewed - AOC3 Fluorescence intensity '=' 124 -
Q12879 BXGT013275 Glutamate receptor ionotropic, NMDA 2A reviewed Ion channel GRIN2A Inhibition '=' 108 %
Q05586 BXGT012826 Glutamate receptor ionotropic, NMDA 1 reviewed Ion channel GRIN1 Inhibition '=' 108 %
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 31622 nM
P43166 BXGT010364 Carbonic anhydrase 7 reviewed - CA7 Ki '=' 710 nM
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a Emax '=' 100 %
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b Emax '=' 100 %
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d Emax '=' 100 %
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c Emax '=' 100 %
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b Emax '=' 100 %
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a Emax '=' 100 %
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 Emax '=' 100 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Rate '=' 0 delta OD340 min-1
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Rate '=' 0 delta OD340 min-1
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Rate '=' 0 delta OD340 min-1
Q862F3 BXGT017581 Similar to alpha-tubulin isoform 1 unreviewed - Equilibrium OD340 '=' 1 -
Q862L2 BXGT017582 Similar to alpha-tubulin isoform 1 unreviewed - Equilibrium OD340 '=' 1 -
Q6B856 BXGT016212 Tubulin beta-2B chain reviewed - TUBB2B Equilibrium OD340 '=' 1 -
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 354 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 12589 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 33498 nM
Q63089 BXGT016060 Solute carrier family 22 member 1 reviewed - Slc22a1 Activity - - -
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 7943 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 4610 nM
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 FC '=' 1 -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3548 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB FC '=' 0 -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA FC '=' 0 -
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 FC '=' 0 -
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b EC50 '=' 100000 nM
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 EC50 '=' 100000 nM
P11388 BXGT007697 DNA topoisomerase 2-alpha reviewed - TOP2A IC50 '>' 1000000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00016 Peanut Arachis hypogaea Nuts
BXGF00022 Oat Avena sativa Cereals and cereal products
BXGF00059 Arabica coffee Coffea arabica Coffee and coffee products
BXGF00085 Soy bean Glycine max Soy
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00096 Grass pea Lathyrus sativus Pulses
BXGF00105 Apple Malus pumila Fruits
BXGF00132 Scarlet bean Phaseolus coccineus Pulses
BXGF00133 Lima bean Phaseolus lunatus Pulses
BXGF00134 Common bean Phaseolus vulgaris Pulses
BXGF00141 Common pea Pisum sativum Pulses
BXGF00153 Radish Raphanus sativus Vegetables
BXGF00197 Broad bean Vicia faba Pulses
BXGF00198 Adzuki bean Vigna angularis Pulses
BXGF00199 Gram bean Vigna mungo Pulses
BXGF00200 Mung bean Vigna radiata Pulses
BXGF00202 Cowpea Vigna unguiculata Pulses
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00348 Hyacinth bean Lablab purpureus Pulses
BXGF00466 Winged bean Psophocarpus tetragonolobus Pulses
BXGF00823 Fruits Fruits
BXGF00834 Yellow wax bean Phaseolus vulgaris Pulses
BXGF00835 Green bean Phaseolus vulgaris Pulses
BXGF03176 Capparis masaikai Capparis masaikai Medicinal Plant
BXGF03221 Nectandra pichurim Nectandra pichurim Human Edible Plant
BXGF03496 Pityrogramma tartarea Pityrogramma tartarea Others
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