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 220,513 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	nutraceutical investigational
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 2-Amino-3-methylvaleric acid alpha-amino-beta-methylvaleric acid Isoleucina Isoleucinum L-Isoleucine α-amino-β-methylvaleric acid Ile Isoleucine
Brand Names	2.75% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Quickmix Aminosyn II with Electrolytes 2.5% Travasol Amino Acid Injection Without Electrolytes In 10% Dextrose Quickmix 2.5%travasol Amino Acid InJ.W.eleC.W.25%dex 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Kabiven 5% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Quickmix Smofkabiven Extra Nitrogen Electrolyte Free 4.25% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Clinimix 4.25% Amino Acid Injection Without Electrolytes In 20% Dextrose Quickmix Clinimix Aminosyn II in Dextrose ExoSCRT Derma Signal SRLV Vial 1. Lyophilized Olimel 7.6% RenAmin 4.25% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Clinisol Novamine ASCE plus Derma Signal Kit SRLV S 5% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Aminosyn 10% W Electrolytes Aminosyn-PF 7% Aminosyn II 8.5% Injection Aminosyn II 7% With 10% Dextrose Travasol Amino Acid Inj 5.5% Aminosyn II Aminosyn 20% Prosol Aminosyn RF Injection Nephramine Liq IV Smofkabiven Extra Nitrogen 4.25% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose Aminosyn 5% Olimel 4.4% E TrophAmine 4.25% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose NephrAmine Smofkabiven 2.75% Travas. Amino Acid InJ.W.elecw.25%dex 5% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose Aminosyn II In Dextrose Injection Aminosyn II 8.5% With 50% Dextrose Aminosyn 8.5% Injection With Electrolytes Olimel 7.6% E ProcalAmine Aminosyn II 7% With 50% Dextrose Travasol Inj Without Electrolytes 8.5% Premasol - sulfite-free (Amino Acid) ASCE plus Derma Signal Kit SRLV 2.75% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Aminosyn 3.5% M Primene 10%-liq IV Aminosyn II and Dextrose 8.5% Freamine III Plenamine 4.25% Travasol Amino Acid Without Electrolytes In 5% Dextrose Quickmix 4.25%trav. Amino Acid InJ.W.O.elect.5%dext. 4.25% Travasol Amino Acid Injection Without Electrlytes In 10% Dextrose Vamin N Aminosyn-PF Olimel 5.7% BranchAmin Smofkabiven Peripheral Aminosyn II with Electrolytes in Dextrose with Calcium Travasol Inj Without Electrolytes 5.5% 2.75%travasol Amino Acid InJ.W.eleC.W.5%dex. Smofkabiven Electrolyte Free Aminosyn II 7% Injection Aminosyn II 8.5% M In 20% Dextrose (dual Chamber) Perikabiven Essepna Periolimel 2.5% E Aminosyn II 7% M In 10% Dextrose(dual Chamber) Aminosyn 8.5% Primene 10% Synthamin Travasol Vamin 18 Electrolyte-free 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Olimel 4.4% Primene Clinimix E Aminosyn HF ExoSCRT Derma Signal SRLV Vial 2. Diluent ExoSCRT Derma Signal Kit SRLV Quick Mix 2.5% Travasol Aa With Electrolytes With 25% Dextrose Injec Aminosyn II 10% With Electrolytes 4.25% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Aminosyn Sulfite Free Renamin (amino Acids) Injection Aminosyn 7% Hepatasol Aminosyn II 5% Inj Clinimix 2.5% Travasol Aa Without Electrolytes In 10% Dextrose Injec FreAmine III Travasol E 4.25%travasol Amino Acid InJ.W.elecw.5%dex. Aminosyn RF Travasol Amino Acid Inj 8.5% HepatAmine Aminosyn-PF 10% Olimel 5.7% E Olimel 3.3% E FreAmine HBC Nutrineal Pd4 ProSol Bcaa 4% Inj
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