Showing entry for Methylthioadenosine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017352
Compound NameMethylthioadenosine
Structure
FormulaC11H15N5O3S
InchiKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILESCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InchiInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
IUPAC(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Molecular Weight297.09
Pubchem Id439176
Chembl IdCHEMBL277041
Targets of Information Source
DrugBank DB02282
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
P14751 BXGT008047 Modification methylase RsrI reviewed - rsrIM experimental -
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP experimental -
PDB MTA
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
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed MTAP Enzyme - - - -
P14751 BXGT008047 Modification methylase RsrI reviewed rsrIM - - - - -
P50389 BXGT010795 Purine nucleoside phosphorylase reviewed SSO2706 - - - - -
P0AF12 BXGT007340 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase reviewed mtnN - - - - -
Q97W94 BXGT019843 S-methyl-5'-thioadenosine phosphorylase reviewed mtnP - - - - -
O57950 BXGT004771 Polyamine aminopropyltransferase reviewed speE - - - - -
Q8II73 BXGT018273 Spermidine synthase unreviewed PF3D7_1129000 - - - - -
P22087 BXGT008729 rRNA 2'-O-methyltransferase fibrillarin reviewed FBL Enzyme - - - -
P19623 BXGT008503 Spermidine synthase reviewed SRM Enzyme - - - -
O58214 BXGT004784 tRNA (cytidine(56)-2'-O)-methyltransferase reviewed PH0461 - - - - -
O58523 BXGT004803 tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase reviewed taw2 - - - - -
Q5SK28 BXGT015761 Polyamine aminopropyltransferase reviewed speE - - - - -
P52788 BXGT010953 Spermine synthase reviewed SMS - 300 - - -
O26771 BXGT004278 Uncharacterized protein unreviewed MTH_675 - - - - -
Q5SM60 BXGT015832 Ribosomal RNA small subunit methyltransferase A reviewed rsmA - - - - -
Q57564 BXGT015121 Uncharacterized protein MJ0100 reviewed MJ0100 - - - - -
Q4VSJ8 BXGT014896 Acyl-homoserine-lactone synthase unreviewed tofI - - - - -
Q8Y8D7 BXGT019100 NAD kinase 1 reviewed nadK1 - - - - -
O24915 BXGT004233 Aminodeoxyfutalosine nucleosidase reviewed mtnN - - - - -
Q4JB16 BXGT014822 tRNA (cytidine-2'-O-)-methyltransferase TrmJ reviewed trmJ - - - - -
Q7NZ90 BXGT017071 5-methylthioadenosine/S-adenosylhomocysteine deaminase unreviewed mtaD - - - - -
Q9ZMY2 BXGT022470 Aminodeoxyfutalosine nucleosidase reviewed mtnN - - - - -
A0A0H3MBV9 BXGT000488 Uncharacterized protein unreviewed CTL0515 - - - - -
Q8DLC2 BXGT017995 Lipoyl synthase 2 reviewed lipA2 - - - - -
Q5SLL8 BXGT015811 RNA 2'-O ribose methyltransferase unreviewed TTHA0275 - - - - -
A0KGU9 BXGT000834 MTA/SAH nucleosidase unreviewed mtnN-1 - - - - -
Q72G96 BXGT016720 Putative tRNA (cytidine(34)-2'-O)-methyltransferase unreviewed TT_C1952 - - - - -
I0B503 BXGT003645 S-methyl-5'-thioadenosine phosphorylase unreviewed - - - - -
O14744 BXGT004089 Protein arginine N-methyltransferase 5 reviewed PRMT5 Epigenetic regulator - 4600 - -
Q12314 BXGT013240 Protein arginine N-methyltransferase SFM1 reviewed SFM1 - - - - -
Q9V2G1 BXGT021865 tRNA (guanine(37)-N1)/4-demethylwyosine(37)-methyltransferase Taw22 reviewed taw22 - - - - -
Q5JIZ3 BXGT015453 N(4)-bis(aminopropyl)spermidine synthase reviewed bpsA - - - - -
G7K2D1 BXGT003548 Putative spermidine synthase unreviewed 11439099 - - - - -
O58832 BXGT004815 2-(3-amino-3-carboxypropyl)histidine synthase reviewed dph2 - - - - -
A0A062UZ78 BXGT000039 2-(3-amino-3-carboxypropyl)histidine synthase unreviewed ANME2D_01646 - - - - -
B8NJH3 BXGT024392 O-methyltransferase lepI reviewed lepI - - - - -
Q72L89 BXGT024421 N(4)-bis(aminopropyl)spermidine synthase unreviewed bpsA - - - - -
A5UMY5 BXGT025289 2-(3-amino-3-carboxypropyl)histidine synthase unreviewed Msm_1358 - - - - -
Q31QK9 BXGT025342 Polyamine aminopropyltransferase reviewed speE - - - - -
P23686 BXGT025808 S-adenosylmethionine synthase 1 reviewed SAM1 - - - - -
Binding DB 22111
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 BXGT009016 Adenosine receptor A1 reviewed Adora1 281 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 1100 - - -
reviewed BXGT010694 Fatty acid synthase reviewed Enzyme FASN 1500000 - - -
reviewed BXGT008714 Catechol O-methyltransferase reviewed Enzyme COMT >5400000 - - -
reviewed BXGT005345 Indolethylamine N-methyltransferase reviewed Enzyme INMT 700000 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 1130 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 1180 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 150 - - -
reviewed BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B 8200 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 680 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 - 71000 - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 - 680 - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 240 - - -
reviewed BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B 13900 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 210 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 - 15100 - -
CHEMBL CHEMBL277041
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
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 240 nM
P23526 BXGT008878 Adenosylhomocysteinase reviewed Enzyme AHCY Activity '=' 66 %
P23526 BXGT008878 Adenosylhomocysteinase reviewed Enzyme AHCY Activity '=' 94 %
Q9NFS5 BXGT021130 Spermidine synthase unreviewed - spds IC50 '=' 159000 nM
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B Ki '=' 8200 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 150 nM
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B Ki '=' 13900 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Ki '=' 680 nM
Q9CQ65 BXGT020249 S-methyl-5'-thioadenosine phosphorylase reviewed - Mtap Km '=' 1300 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ratio '=' 22 -
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP Km '=' 4600 nM
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP Ratio '=' 3 1/uM*sec
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 1180 nM
Q9X034 BXGT022047 5-methylthioadenosine/S-adenosylhomocysteine deaminase reviewed - mtaD Kcat '=' 7 /s
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP Km '=' 106000 nM
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP Km '=' 5000 nM
Q9X034 BXGT022047 5-methylthioadenosine/S-adenosylhomocysteine deaminase reviewed - mtaD Kcat/Km '=' 1 10^5/M/s
P49327 BXGT010694 Fatty acid synthase reviewed Enzyme FASN Ki '=' 1500000 nM
Q99MI5 BXGT019991 Spermidine synthase unreviewed - LOC100912604 Activity '=' 44 %
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 1130 nM
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A Affinity constant '=' - -
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Affinity constant '=' - -
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B Affinity constant '=' - -
P30542 BXGT009436 Adenosine receptor A1 reviewed G-protein coupled receptor ADORA1 Affinity constant '=' - -
Q99MI5 BXGT019991 Spermidine synthase unreviewed - LOC100912604 Activity '=' 12 %
P21964 BXGT008714 Catechol O-methyltransferase reviewed Enzyme COMT Ki '>' 5400000 nM
O95050 BXGT005345 Indolethylamine N-methyltransferase reviewed Enzyme INMT Ki '=' 700000 nM
Q99MI5 BXGT019991 Spermidine synthase unreviewed - LOC100912604 Activity '=' 9 %
P29274 BXGT009327 Adenosine receptor A2a reviewed G-protein coupled receptor ADORA2A Affinity constant '=' 10 uM
P29275 BXGT009328 Adenosine receptor A2b reviewed G-protein coupled receptor ADORA2B Affinity constant '=' 10 uM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 IC50 '=' 15100 nM
Q9CQ65 BXGT020249 S-methyl-5'-thioadenosine phosphorylase reviewed - Mtap Control '=' 100 %
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 210 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 IC50 '=' 680 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 IC50 '=' 71000 nM
P23526 BXGT008878 Adenosylhomocysteinase reviewed Enzyme AHCY Activity '=' 101 %
P23526 BXGT008878 Adenosylhomocysteinase reviewed Enzyme AHCY Activity '=' 48 %
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP K cat '=' 4 1/sec
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP K cat '=' 0 1/sec
Q99MI5 BXGT019991 Spermidine synthase unreviewed - LOC100912604 Activity '=' 41 %
P23526 BXGT008878 Adenosylhomocysteinase reviewed Enzyme AHCY Activity '=' 86 %
Q9X034 BXGT022047 5-methylthioadenosine/S-adenosylhomocysteine deaminase reviewed - mtaD Km '=' 44000 nM
Q13126 BXGT013313 S-methyl-5'-thioadenosine phosphorylase reviewed Enzyme MTAP Ratio '=' 0 1/uM*sec
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Efficacy '=' 46 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02815 Pinellia ternata Pinellia ternata Medicinal Plant
BXGF05203 Chlamydomonas reinhardtii Chlamydomonas reinhardtii Others
BXGF06107 Glehnia littoralis Glehnia littoralis 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