ILE

ISOLEUCINE

Find entries where: ILE

is present as a standalone ligand in 38 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 14 entries

is present in a polymer sequence 219,867 entries

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Chemical Component Summary
Name	ISOLEUCINE
Identifiers	(2S,3S)-2-amino-3-methyl-pentanoic acid
Formula	C₆ H₁₃ N O₂
Molecular Weight	131.173
Type	L-PEPTIDE LINKING
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)O)N
InChI	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKey	AGPKZVBTJJNPAG-WHFBIAKZSA-N

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	2
Bond Count	21
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB00167 ?
Name	Isoleucine
Groups	investigational nutraceutical
Description	An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of leucine. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.
Synonyms	(2S,3S)-2-Amino-3-methylpentanoic acid Isoleucine alpha-amino-beta-methylvaleric acid Isoleucinum 2-Amino-3-methylvaleric acid Ile L-Isoleucine α-amino-β-methylvaleric acid Isoleucina
Brand Names	Olimel 5.7% 20% Prosol Essepna 8.5% Freamine III Aminosyn 10% W Electrolytes Aminosyn II 10% With Electrolytes Aminosyn 5% Aminosyn II in Dextrose Aminosyn II 7% Injection Olimel 7.6% E ProSol Travasol Amino Acid Inj 5.5% Travasol Inj Without Electrolytes 5.5% Aminosyn II 7% M In 10% Dextrose(dual Chamber) 4.25% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Aminosyn II 8.5% With 50% Dextrose Kabiven 2.5% Travasol Amino Acid Injection Without Electrolytes In 10% Dextrose Quickmix Vamin N FreAmine HBC Perikabiven ASCE plus Derma Signal Kit SRLV Nephramine Liq IV Aminosyn II and Dextrose BranchAmin 4.25% Travasol Amino Acid Injection Without Electrlytes In 10% Dextrose HepatAmine Aminosyn II 7% With 50% Dextrose ASCE plus Derma Signal Kit SRLV S 2.75% Travas. Amino Acid InJ.W.elecw.25%dex ProcalAmine Aminosyn II 8.5% Injection FreAmine III Olimel 4.4% Clinimix Aminosyn II 5% Inj Clinimix E Olimel 7.6% 2.75% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Aminosyn 3.5% M Aminosyn-PF 4.25% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Aminosyn II Aminosyn II with Electrolytes Aminosyn NephrAmine Hepatasol Aminosyn II 8.5% M In 20% Dextrose (dual Chamber) Synthamin ExoSCRT Derma Signal SRLV Vial 2. Diluent Plenamine Aminosyn II with Electrolytes in Dextrose with Calcium Smofkabiven Extra Nitrogen Electrolyte Free 4.25%trav. Amino Acid InJ.W.O.elect.5%dext. 4.25%travasol Amino Acid InJ.W.elecw.5%dex. Aminosyn Sulfite Free Clinisol Vamin 18 Electrolyte-free Travasol Inj Without Electrolytes 8.5% Premasol - sulfite-free (Amino Acid) Olimel 4.4% E Primene 10%-liq IV Aminosyn-PF 10% Primene ExoSCRT Derma Signal SRLV Vial 1. Lyophilized Novamine 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Clinimix Periolimel 2.5% E 4.25% Amino Acid Injection Without Electrolytes In 20% Dextrose Quickmix Aminosyn 8.5% Aminosyn RF Injection 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Travasol Amino Acid Inj 8.5% 5% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose Travasol Nutrineal Pd4 Olimel 3.3% E Aminosyn-PF 7% Quick Mix 2.5% Travasol Aa With Electrolytes With 25% Dextrose Injec 4.25% Travasol Amino Acid Without Electrolytes In 5% Dextrose Quickmix ExoSCRT Derma Signal Kit SRLV 4.25% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose Aminosyn HF Aminosyn 7% 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Olimel 5.7% E Smofkabiven Aminosyn II In Dextrose Injection 5% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose Aminosyn 8.5% Injection With Electrolytes Bcaa 4% Inj 5% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose 2.5%travasol Amino Acid InJ.W.eleC.W.25%dex 4.25% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Smofkabiven Electrolyte Free 2.75% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Quickmix 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Quickmix Smofkabiven Extra Nitrogen Clinimix 2.5% Travasol Aa Without Electrolytes In 10% Dextrose Injec 2.75%travasol Amino Acid InJ.W.eleC.W.5%dex. Primene 10% Travasol E Renamin (amino Acids) Injection Aminosyn II 7% With 10% Dextrose Aminosyn RF TrophAmine Smofkabiven Peripheral 4.25% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose RenAmin
Indication	The branched-chain amino acids may have antihepatic encephalopathy activity in some. They may also have anticatabolic and antitardive dyskinesia activity.
Categories	Amino Acids Amino Acids, Branched-Chain Amino Acids, Essential Amino Acids, Peptides, and Proteins Dietary Supplements Proteinogenic Amino Acids Supplements
CAS number	73-32-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial	MEGLAVRLLRGSRLLRRNFLTCLSSWKIPPHVSKSSQSEALLNITNNGIH...	unknown
Branched-chain-amino-acid aminotransferase, cytosolic	MKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFG...	unknown
Branched-chain-amino-acid aminotransferase, mitochondrial	MAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPG...	unknown
Isoleucine--tRNA ligase, cytoplasmic	MLQQVPENINFPAEEEKILEFWTEFNCFQECLKQSKHKPKFTFYDGPPFA...	unknown
Isoleucine--tRNA ligase, mitochondrial	MRWGLRPRGPGAAALATARSLWGTPRLPCSPGWQGATKRLLVRSVSGASN...	unknown
Monocarboxylate transporter 10	MVLSQEEPDSARGTSEAQPLGPAPTGAAPPPGPGPSDSPEAAVEKVEVEL...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	6306, 7043901
ChEMBL	CHEMBL1233584
ChEBI	CHEBI:17191, CHEBI:58045
CCDC/CSD	POXGAL, ICAPIL, DAILEU01, YUZTEU, YIGMOS, VUKQEZ, GUQKIO, LILEUC10, ZATMAM, RASZAQ, ZATMUG
COD	2102122

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

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ILE

ISOLEUCINE

Chemical Component Summary

Chemical Details

Drug Info: DrugBank

Drug Targets

Related Resource References