Showing entry for (1R,2S)-Isocitric acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006342
Compound Name(1R,2S)-Isocitric acid
Structure
FormulaC6H8O7
InchiKeyODBLHEXUDAPZAU-ZAFYKAAXSA-N
SMILESO[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O
InchiInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1
IUPAC(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Weight192.12
Pubchem Id5318532
Chembl IdCHEMBL390356
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 ICT
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
P08200 BXGT006747 Isocitrate dehydrogenase [NADP] reviewed icd - - - - -
P16276 BXGT008212 Aconitate hydratase, mitochondrial reviewed ACO2 - - - - -
P20004 BXGT008539 Aconitate hydratase, mitochondrial reviewed ACO2 - - - - -
P08200 BXGT006747 Isocitrate dehydrogenase [NADP] reviewed icd - 33 - - -
P08200 BXGT006747 Isocitrate dehydrogenase [NADP] reviewed icd - 189000 - - -
P16100 BXGT008192 Isocitrate dehydrogenase [NADP] reviewed icd - - - - -
P33198 BXGT009703 Isocitrate dehydrogenase [NADP], mitochondrial reviewed IDH2 - - - - -
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed IDH1 - - - - -
P00808 BXGT005665 Beta-lactamase reviewed penP - - - - -
P67080 BXGT011554 Pyridoxal phosphate homeostasis protein reviewed yggS - - - - -
P77541 BXGT011814 2-methylisocitrate lyase reviewed prpB - - - - -
Q9YE81 BXGT022372 Isocitrate dehydrogenase [NADP] unreviewed APE_0689.1 - - - - -
Q8ZQM7 BXGT019242 Putative cytoplasmic protein unreviewed ybiU - - - - -
P21954 BXGT008712 Isocitrate dehydrogenase [NADP], mitochondrial reviewed IDP1 - - - - -
Q6AQ66 BXGT016207 Isocitrate dehydrogenase [NADP] unreviewed DP0778 - - - - -
Q2YQA0 BXGT014280 Isocitrate lyase and phosphorylmutase:Isocitrate lyase unreviewed BAB1_1631 - - - - -
A3DC45 BXGT001125 Isocitrate dehydrogenase [NADP] unreviewed Cthe_0285 - - - - -
P08200 BXGT006747 Isocitrate dehydrogenase [NADP] reviewed icd - 96000 - - -
A0QSZ3 BXGT000901 Isocitrate dehydrogenase [NADP] unreviewed MSMEG_1654 - - - - -
P51553 BXGT010854 Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial reviewed IDH3G - - - - -
P54071 BXGT011029 Isocitrate dehydrogenase [NADP], mitochondrial reviewed Idh2 - - - - -
Q5JFV8 BXGT015439 Homoisocitrate dehydrogenase unreviewed TK0280 - - - - -
Q4E4L7 BXGT023726 Isocitrate dehydrogenase [NADP] unreviewed Tc00.1047053506925.319 - - - - -
A0A096P8D3 BXGT024394 Isocitrate dehydrogenase NADP-dependent unreviewed OT_ostta13g02940 - - - - -
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed IDH1 - - - 510000 -
Binding DB n.a
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
CHEMBL CHEMBL390356
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
P40495 BXGT010187 Homoisocitrate dehydrogenase, mitochondrial reviewed - LYS12 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00134 Common bean Phaseolus vulgaris Pulses
BXGF00160 Rubus (Blackberry, Raspberry) Rubus Fruits
BXGF00811 Citrus Fruits
BXGF00823 Fruits Fruits
BXGF00834 Yellow wax bean Phaseolus vulgaris Pulses
BXGF00835 Green bean Phaseolus vulgaris Pulses
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