LEU

LEUCINE

Created:	1999-07-08
Last modified:	2024-09-27

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109 entries where LEU is found as a standalone ligand28 entries where LEU is covalently linked to polymer or other heterogen groups 222,539 entries where LEU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

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Chemical Component Summary
Name	LEUCINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-methyl-pentanoic acid
Formula	C₆ H₁₃ N O₂
Molecular Weight	131.173
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CC(C)C
SMILES	CACTVS	3.341	CC(C)C[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey	InChI	1.03	ROHFNLRQFUQHCH-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank ID	DB00149
Name	Leucine
Groups	investigational nutraceutical
Description	An essential branched-chain amino acid important for hemoglobin formation.
Synonyms	(2S)-alpha-2-Amino-4-methylvaleric acid 2-Amino-4-methylvaleric acid L (2S)-2-Amino-4-methylpentanoic acid L-Leucine hydrochloride L-Leuzin L-Leucine Leu L-Leucin (S)-(+)-Leucine (S)-Leucine (2S)-alpha-Leucine Leucine
Brand Names	Smofkabiven Peripheral 2.75% Travas. Amino Acid InJ.W.elecw.25%dex 8.5% Freamine III Aminosyn RF Injection 4.25% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose Aminosyn II Olimel 3.3% E Aminosyn II with Electrolytes in Dextrose with Calcium Vamin N Aminosyn 8.5% Injection With Electrolytes Clinimix Aminosyn Nutrineal Pd4 4.25% Amino Acid Injection Without Electrolytes In 20% Dextrose Quickmix Aminosyn II 7% With 50% Dextrose Primene 10% Quick Mix 2.5% Travasol Aa With Electrolytes With 25% Dextrose Injec ExoSCRT Derma Signal Kit SRLV Travasol Amino Acid Inj 8.5% Aminosyn II 7% M In 10% Dextrose(dual Chamber) Smofkabiven Electrolyte Free 4.25% Travasol Amino Acid Injection Without Electrlytes In 10% Dextrose 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Olimel 7.6% 4.25%trav. Amino Acid InJ.W.O.elect.5%dext. HepatAmine 2.75% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Aminosyn II 8.5% With 50% Dextrose Aminosyn II and Dextrose Plenamine 5% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Clinimix 2.5% Travasol Aa Without Electrolytes In 10% Dextrose Injec 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Perikabiven 4.25% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose Aminosyn HF Aminosyn II In Dextrose Injection ExoSCRT Derma Signal SRLV Vial 2. Diluent Aminosyn 3.5% M Aminosyn II 8.5% M In 20% Dextrose (dual Chamber) 4.25% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Aminosyn II 8.5% Injection Primene 10%-liq IV ASCE plus Derma Signal Kit SRLV Clinimix E Clinisol 2.75%travasol Amino Acid InJ.W.eleC.W.5%dex. ExoSCRT Derma Signal SRLV Vial 1. Lyophilized RenAmin 2.5% Travasol Amino Acid Injection With Electrolytes In 10% Dextrose Clinimix Olimel 5.7% 2.5%travasol Amino Acid InJ.W.eleC.W.25%dex Olimel 7.6% E ASCE plus Derma Signal Kit SRLV S 4.25% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Travasol E BranchAmin 4.25% Travasol Amino Acid Injection With Electrolytes In 5% Dextrose Quickmix Vamin 18 Electrolyte-free NephrAmine Aminosyn-PF Olimel 5.7% E Premasol - sulfite-free (Amino Acid) 2.75% Travasol Amino Acid Injection With Electrolytes In 25% Dextrose Quickmix Aminosyn 10% W Electrolytes Aminosyn Sulfite Free 4.25% Travasol Amino Acid Injection With Electrolytes In 20% Dextrose Quickmix Aminosyn RF Aminosyn-PF 10% Aminosyn II in Dextrose Primene Novamine Aminosyn 5% Aminosyn 8.5% Periolimel 2.5% E Travasol Inj Without Electrolytes 8.5% Travasol Inj Without Electrolytes 5.5% Nephramine Liq IV Travasol Amino Acid Inj 5.5% 4.25%travasol Amino Acid InJ.W.elecw.5%dex. Travasol Renamin (amino Acids) Injection Smofkabiven Synthamin Olimel 4.4% 5% Travasol Amino Acid Injection Without Electrolytes In 25% Dextrose ProSol 4.25% Travasol Amino Acid Without Electrolytes In 5% Dextrose Quickmix Hepatasol Aminosyn-PF 7% ProcalAmine TrophAmine Aminosyn II 7% With 10% Dextrose Smofkabiven Extra Nitrogen Electrolyte Free FreAmine HBC Aminosyn II 5% Inj FreAmine III Aminosyn II 10% With Electrolytes 2.5% Travasol Amino Acid Injection Without Electrolytes In 10% Dextrose Quickmix Smofkabiven Extra Nitrogen 20% Prosol Bcaa 4% Inj Aminosyn II with Electrolytes Essepna Olimel 4.4% E 5% Travasol Amino Acid Injection Without Electrolytes In 20% Dextrose Aminosyn II 7% Injection Aminosyn 7% Kabiven
Indication	Indicated to assist in the prevention of the breakdown of muscle proteins that sometimes occur after trauma or severe stress.
Categories	Amino Acids Amino Acids, Branched-Chain Amino Acids, Essential Amino Acids, Peptides, and Proteins Dietary Supplements Proteinogenic Amino Acids Supplements
CAS number	61-90-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Probable leucine--tRNA ligase, mitochondrial	MASVWQRLGFYASLLKRQLNGGPDVIKWERRVIPGCTRSIYSATGKWTKE...	unknown
Leucine carboxyl methyltransferase 2	MGPRSRERRAGAVQNTNDSSALSKRSLAARGYVQDPFAALLVPGAARRAP...	unknown
Leucine carboxyl methyltransferase 1	MATRQRESSITSCCSTSSCDADDEGVRGTCEDASLCKRFAVSIGYWHDPY...	unknown
Leucine--tRNA ligase, cytoplasmic	MAERKGTAKVDFLKKIEKEIQQKWDTERVFEVNASNLEKQTSKGKYFVTF...	unknown
Branched-chain-amino-acid aminotransferase, mitochondrial	MAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPG...	unknown
Branched-chain-amino-acid aminotransferase, cytosolic	MKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFG...	unknown
Monocarboxylate transporter 10	MVLSQEEPDSARGTSEAQPLGPAPTGAAPPPGPGPSDSPEAAVEKVEVEL...	unknown	inhibitor
Monocarboxylate transporter 8	MALQSQASEEAKGPWQEADQEQQEPVGSPEPESEPEPEPEPEPVPVPPPE...	unknown	substrate
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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	7045798, 6106
ChEMBL	CHEMBL291962
ChEBI	CHEBI:57427, CHEBI:15603
CCDC/CSD	CADPEF, CADPAB, CEGKOQ, GOWCAW, FEQYUW, GOWBUP, POVYUV, AXUTIX, DLLEUC02, ZIPCOT01, WAKYAJ, ZIPCOT, URODEL, SETTOB, VUKQAV01, GUQKEK, NOFWUA, HAGZUL, PATPUV, VUKQAV03, VUKQAV02, NOFXEL, NOFXAH, CADLEA, VUKQAV04, VUKQAV05, VUKQAV06, VUKQAV08, VUKQAV09, FITNIF, VUKQAV07, AHOHIQ, GOWBOJ, DLLEUC, KERMUP, YIGMIM, ZINDEI, DLLEUC03, VUKQAV, ZATMUG, ZATJOX, WIPQOE01, ZATNER, SAJYUB, ZATNAN
COD	4501604