Showing entry for Isoleucine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0022652
Compound NameIsoleucine
Structure
FormulaC6H13NO2
InchiKeyAGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILESCC[C@@H]([C@@H](C(=O)O)N)C
InchiInChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
IUPAC(2S,3S)-2-azaniumyl-3-methylpentanoate
Molecular Weight131.09
Pubchem Id6306
Chembl IdCHEMBL1233584
Targets of Information Source
DrugBank DB00167
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
Q9NSE4 BXGT021207 Isoleucine--tRNA ligase, mitochondrial reviewed Enzyme IARS2 investigational; nutraceutical -
P45954 BXGT010490 Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial reviewed - ACADSB investigational; nutraceutical -
P54687 BXGT011067 Branched-chain-amino-acid aminotransferase, cytosolic reviewed Enzyme BCAT1 investigational; nutraceutical -
O15382 BXGT004160 Branched-chain-amino-acid aminotransferase, mitochondrial reviewed Enzyme BCAT2 investigational; nutraceutical -
P41252 BXGT010245 Isoleucine--tRNA ligase, cytoplasmic reviewed Enzyme IARS investigational; nutraceutical -
PDB ILE
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
Q58504 BXGT015193 Homoserine kinase reviewed thrB - - - - -
P0AD96 BXGT007279 Leu/Ile/Val-binding protein reviewed livJ - - - 900 -
P07813 BXGT006679 Leucine--tRNA ligase reviewed leuS - - - - -
P39779 BXGT010137 GTP-sensing transcriptional pleiotropic repressor CodY reviewed codY - - - - -
P00760 BXGT005644 Cationic trypsin reviewed - - - - -
P00800 BXGT005661 Thermolysin reviewed npr - - - - -
O73983 BXGT005077 75aa long hypothetical regulatory protein AsnC unreviewed PHS023 - - - - -
Q975W5 BXGT019778 Uncharacterized protein unreviewed STK_03115 - - - - -
Q01693 BXGT012606 Bacterial leucyl aminopeptidase reviewed - - - - -
Q8F3Q1 BXGT018124 Isopropylmalate/homocitrate/citramalate synthase reviewed cimA - - - - -
Q834W6 BXGT017459 Hydrophobic dipeptide epimerase reviewed EF_1511 - - - - -
Q837U7 BXGT017476 Putrescine carbamoyltransferase reviewed ptcA - - - - -
P03367 BXGT006057 Gag-Pol polyprotein reviewed gag-pol - - - - -
J9PBT7 BXGT003754 ABC transporter substrate-binding protein-branched chain amino acid transport unreviewed - - - - -
O15570 BXGT004184 Cysteine synthase unreviewed - - - - -
Q3MFZ5 BXGT014504 Amino acid/amide ABC transporter substrate-binding protein, HAAT family unreviewed Ava_0465 - - - - -
Q9HXN1 BXGT020651 Membrane-bound lytic murein transglycosylase F reviewed mltF - - - - -
Q0P864 BXGT013112 Putative methyl-accepting chemotaxis signal transduction protein unreviewed Cj1564 - - - - -
Q9SKE2 BXGT021590 Jasmonoyl--L-amino acid synthetase JAR1 reviewed JAR1 - - - - -
Q2FZ27 BXGT023033 GTP-sensing transcriptional pleiotropic repressor CodY reviewed codY - - - - -
Q18BE1 BXGT013735 GTP-sensing transcriptional pleiotropic repressor CodY unreviewed codY - - - - -
G3XD24 BXGT003490 Methyl-accepting chemotaxis protein PctA reviewed pctA - - - - -
O43293 BXGT004584 Death-associated protein kinase 3 reviewed DAPK3 Kinase - - - -
Q6F3I7 BXGT016272 Dipeptidyl aminopeptidase 4 reviewed dap4 - - - - -
P0ADF8 BXGT007284 Acetolactate synthase isozyme 1 small subunit reviewed ilvN - - - - -
P15145 BXGT008088 Aminopeptidase N reviewed ANPEP - - - - -
P43133 BXGT010359 Thermolysin reviewed nprS - - - - -
Q3K7T6 BXGT025274 Putative methyl-accepting chemotaxis protein unreviewed Pfl01_4431 - - - - -
P00772 BXGT005648 Chymotrypsin-like elastase family member 1 reviewed CELA1 - - - - -
A0A4Y7X244 BXGT026014 Sodium-dependent transporter unreviewed E2L07_01100 - - - - -
Binding DB 18140
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 BXGT017247 Proton-coupled amino acid transporter 1 reviewed Transporter SLC36A1 37000000 - - -
CHEMBL CHEMBL1233584
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
Q91Y77 BXGT019323 Monocarboxylate transporter 10 reviewed - Slc16a10 Activity - - -
Q7Z2H8 BXGT017247 Proton-coupled amino acid transporter 1 reviewed Transporter SLC36A1 pKi '=' -1 mM
Q7Z2H8 BXGT017247 Proton-coupled amino acid transporter 1 reviewed Transporter SLC36A1 Ki '=' 37000000 nM
Q01650 BXGT012603 Large neutral amino acids transporter small subunit 1 reviewed Transporter SLC7A5 Activity '=' 93 %
Q01650 BXGT012603 Large neutral amino acids transporter small subunit 1 reviewed Transporter SLC7A5 IC50 '=' 140000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00008 Garlic Allium sativum Herbs and Spices
BXGF00027 Chinese mustard Brassica juncea Vegetables
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00200 Mung bean Vigna radiata Pulses
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00380 White mustard Sinapis alba Herbs and Spices
BXGF00979 Cistanche deserticola Cistanche deserticola Medicinal Plant
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF01972 Ficus simplicissima Ficus simplicissima Medicinal Plant
BXGF02054 Shorea uliginosa Shorea uliginosa Others
BXGF02275 Trichosanthes kirilowii maxim Trichosanthes kirilowii maxim Others
BXGF02290 Sonchus microcarpus Sonchus microcarpus Others
BXGF02526 Santalum album Santalum album Medicinal Plant
BXGF03490 Atractylodes macrocephala koidz Atractylodes macrocephala koidz Others
BXGF03614 Ageratum conyzoides Ageratum conyzoides Medicinal Plant
BXGF05178 Lilium hansonii Lilium hansonii Medicinal Plant
BXGF05203 Chlamydomonas reinhardtii Chlamydomonas reinhardtii Others
BXGF05330 Arum ternatum thunb Arum ternatum thunb Others
BXGF05421 Tussilago farfara Tussilago farfara Medicinal Plant
BXGF05842 Platycodon grandiforus Platycodon grandiforus Others
BXGF06126 Strychnos diplotricha Strychnos diplotricha 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