Showing entry for Cocarboxylase


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042298
Compound NameCocarboxylase
Structure
FormulaC12H18N4O7P2S
InchiKeyAYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILESCc1ncc(c(=N)[nH]1)C[n+]1csc(c1C)CCOP(=O)(OP(=O)(O)O)O
InchiInChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
IUPAC2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Molecular Weight425.04
Pubchem Id1132
Chembl IdCHEMBL1236376
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 TPP
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
P23254 BXGT008841 Transketolase 1 reviewed TKL1 - - - - -
P94692 BXGT012144 Pyruvate:ferredoxin oxidoreductase reviewed por - - - - -
P20906 BXGT008613 Benzoylformate decarboxylase reviewed mdlC - - - - -
Q7SIC9 BXGT017114 Transketolase, chloroplastic reviewed - - - - -
P07342 BXGT006606 Acetolactate synthase catalytic subunit, mitochondrial reviewed ILV2 - - - - -
P08559 BXGT006788 Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial reviewed PDHA1 - - - - -
P23234 BXGT008839 Indole-3-pyruvate decarboxylase reviewed ipdC - - - - -
P27696 BXGT009200 Acetolactate synthase, catabolic reviewed budB - - - - -
P37063 BXGT009959 Pyruvate oxidase reviewed pox5 - - - - -
P06169 BXGT006417 Pyruvate decarboxylase isozyme 1 reviewed PDC1 - - - - -
P27302 BXGT009170 Transketolase 1 reviewed tktA - - - - -
Q8MPM3 BXGT018482 Transketolase unreviewed TKT - - - - -
Q9LCV9 BXGT021071 N(2)-(2-carboxyethyl)arginine synthase reviewed ceaS - - - - -
P17597 BXGT008320 Acetolactate synthase, chloroplastic reviewed ALS - - - - -
Q9F4L3 BXGT020345 Benzaldehyde lyase unreviewed bznB - - - - -
P40149 BXGT010161 Oxalyl-CoA decarboxylase reviewed oxc - - - - -
P17109 BXGT008283 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase reviewed menD - - - - -
P51852 BXGT010898 Indole-3-pyruvate decarboxylase reviewed ipdC - - - - -
P08559 BXGT006788 Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial reviewed PDHA1 - - - 920 -
P0AFI0 BXGT007349 Oxalyl-CoA decarboxylase reviewed oxc - - - - -
Q6QBS4 BXGT016494 Branched-chain alpha-ketoacid decarboxylase unreviewed kdcA - - - - -
Q8L388 BXGT018462 Pyruvate decarboxylase unreviewed pdc - - - - -
Q12629 BXGT013255 Pyruvate decarboxylase reviewed PDC1 - - - - -
P23970 BXGT008933 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase reviewed menD - - - - -
A0R2B1 BXGT000937 Multifunctional 2-oxoglutarate metabolism enzyme reviewed kgd - - - - -
D6PAH1 BXGT002981 Probable phosphoketolase unreviewed xfp - - - - -
Q6R2Q7 BXGT016504 Xylulose-5-phosphate/fructose-6-phosphate phosphoketolase unreviewed xfp - - - - -
O67883 BXGT005014 Thiamine-monophosphate kinase reviewed thiL - - - - -
P15363 BXGT008111 High affinity transport system protein p37 reviewed p37 - - - - -
Q8DVV9 BXGT018052 Uncharacterized protein unreviewed SMU_353 - - - - -
Q0P7Y3 BXGT013108 Transketolase unreviewed tkt - - - - -
Q82ZE3 BXGT017434 Thiamine pyrophosphokinase family protein unreviewed EF_3117 - - - - -
P29401 BXGT009344 Transketolase reviewed TKT Enzyme - - - -
P9WG25 BXGT012260 Transketolase reviewed tkt - - - - -
Q9H3S4 BXGT020466 Thiamin pyrophosphokinase 1 reviewed TPK1 Kinase - - - -
Q2SZA7 BXGT014195 Transketolase unreviewed tkt - - - - -
Q1WQU8 BXGT013858 Transketolase unreviewed tktA - - - - -
A9H275 BXGT001788 Pyruvate decarboxylase unreviewed pdc - - - - -
P0CH62 BXGT007473 Cyclohexane-1,2-dione hydrolase reviewed - - - - -
A4SXU0 BXGT001254 Thiamine pyrophosphate enzyme TPP binding domain protein unreviewed Pnuc_1088 - - - - -
A0A0B8R2U7 BXGT000130 Energy-coupled thiamine transporter ThiT unreviewed thiT - - - - -
P06672 BXGT006467 Pyruvate decarboxylase reviewed pdc - - - - -
Q8JZL3 BXGT018390 Thiamine-triphosphatase reviewed Thtpa - - - - -
Q4K6F7 BXGT014835 Acetolactate synthase II, large subunit unreviewed ilvB - - - - -
Q96XT4 BXGT019756 2-oxoacid:ferredoxin oxidoreductase 2, subunit beta reviewed ST2433 - - - - -
Q2RI42 BXGT014162 Oxalate oxidoreductase subunit beta reviewed Moth_1591 - - - - -
A0A0D5YC82 BXGT000148 Thiamine-monophosphate kinase unreviewed thiL - - - - -
P34736 BXGT009764 Transketolase reviewed TKT - - - - -
A8IAN1 BXGT001693 Transketolase unreviewed TRK1 - - - - -
Q2RMD6 BXGT014164 Pyruvate:ferredoxin oxidoreductase reviewed Moth_0064 - - - - -
A0A1D8PJF9 BXGT000721 Acetolactate synthase unreviewed ILV2 - - - - -
A0A3Q0L1E1 BXGT024665 Oxoglutarate dehydrogenase unreviewed sucA - - - - -
A0L8G5 BXGT024901 Pyruvate ferredoxin/flavodoxin oxidoreductase, beta subunit unreviewed Mmc1_1750 - - - - -
Q4KB02 BXGT025364 Benzoylformate decarboxylase unreviewed mdlC - - - - -
Q96HY7 BXGT025609 Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial reviewed DHTKD1 - - - - -
Binding DB 92962
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 BXGT009550 Thiamine-binding periplasmic protein reviewed thiB - - 7.4 -
reviewed BXGT004559 Acetylcholinesterase reviewed ache 5.8 - - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache 1.4 - - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache 1.5 - - -
reviewed BXGT004559 Acetylcholinesterase reviewed ache 6700000 - - -
reviewed BXGT021508 1-deoxy-D-xylulose-5-phosphate synthase reviewed dxs - - 114 -
reviewed BXGT012421 1-deoxy-D-xylulose-5-phosphate synthase reviewed dxs - - 3100 -
CHEMBL CHEMBL1236376
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
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 2818 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 28695 nM
A2RI47 BXGT001092 Thiamine transporter ThiT reviewed - thiT Kd '=' 1 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02965 Arabidopsis thaliana Arabidopsis thaliana 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