Leu-Leu-Asp

Details

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Internal ID 1cd2b6bd-32ca-4754-8360-4675d9ead4d1
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H29N3O6/c1-8(2)5-10(17)14(22)18-11(6-9(3)4)15(23)19-12(16(24)25)7-13(20)21/h8-12H,5-7,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t10-,11-,12-/m0/s1
InChI Key PDQDCFBVYXEFSD-SRVKXCTJSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H29N3O6
Molecular Weight 359.42 g/mol
Exact Mass 359.20563565 g/mol
Topological Polar Surface Area (TPSA) 159.00 Ų
XlogP -3.10

Synonyms

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L-Leu-L-Leu-L-Asp
L-leucyl-L-leucyl-L-aspartic acid
L-L-D
CHEBI:73567
(2S)-2-(((2S)-2-(((2S)-2-amino-4-methylpentanoyl)amino)-4-methylpentanoyl)amino)butanedioic acid
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
RefChem:152993
LLD
Leucyl-leucyl-aspartic acid
CHEMBL1222156
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Leu-Leu-Asp

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 98.09% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 97.12% 90.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 96.65% 93.56%
CHEMBL4801 P29466 Caspase-1 95.43% 96.85%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.42% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 95.23% 83.82%
CHEMBL236 P41143 Delta opioid receptor 94.55% 99.35%
CHEMBL3776 Q14790 Caspase-8 94.32% 97.06%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 93.19% 92.29%
CHEMBL2334 P42574 Caspase-3 92.45% 98.25%
CHEMBL3837 P07711 Cathepsin L 92.13% 96.61%
CHEMBL3468 P55210 Caspase-7 91.36% 95.68%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 91.36% 100.00%
CHEMBL237 P41145 Kappa opioid receptor 91.30% 98.10%
CHEMBL1255126 O15151 Protein Mdm4 90.17% 90.20%
CHEMBL3308 P55212 Caspase-6 88.11% 97.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.90% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.65% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 86.41% 97.21%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.85% 96.47%
CHEMBL2514 O95665 Neurotensin receptor 2 85.71% 100.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 85.44% 93.10%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 84.39% 98.33%
CHEMBL2095164 P49354 Geranylgeranyl transferase type I 83.27% 92.80%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.54% 96.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 82.10% 89.50%
CHEMBL268 P43235 Cathepsin K 81.99% 96.85%
CHEMBL4618 P09960 Leukotriene A4 hydrolase 81.68% 97.86%
CHEMBL2094135 Q96BI3 Gamma-secretase 81.60% 98.05%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.52% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.09% 90.71%
CHEMBL3024 P53350 Serine/threonine-protein kinase PLK1 81.02% 97.43%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.51% 94.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 49864613
LOTUS LTS0215148
wikiData Q27140681