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Lys-Tyr

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID b3a28b6d-8f74-45e1-8a6f-84992a623e73
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILES (Canonical) C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CCCCN)N)O
SMILES (Isomeric) C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChI InChI=1S/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)/t12-,13-/m0/s1
InChI Key MYTOTTSMVMWVJN-STQMWFEESA-N
Popularity 24 references in papers

Physical and Chemical Properties

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Molecular Formula C15H23N3O4
Molecular Weight 309.36 g/mol
Exact Mass 309.16885622 g/mol
Topological Polar Surface Area (TPSA) 139.00 Ų
XlogP -3.50
Atomic LogP (AlogP) -0.04
H-Bond Acceptor 5
H-Bond Donor 5
Rotatable Bonds 9

Synonyms

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Lysyltyrosine
lysyl-tyrosine
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoic Acid
KY dipeptide
K-Y Dipeptide
Lysine Tyrosine dipeptide
Lysine-Tyrosine dipeptide
N-L-Lysyl-L-tyrosine
N-Lysyltyrosine
(2S)-2-(((2S)-2,6-diaminohexanoyl)amino)-3-(4-hydroxyphenyl)propanoic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lys-Tyr

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.8099 80.99%
Caco-2 - 0.8449 84.49%
Blood Brain Barrier - 0.6500 65.00%
Human oral bioavailability - 0.6857 68.57%
Subcellular localzation Mitochondria 0.7037 70.37%
OATP2B1 inhibitior - 0.8608 86.08%
OATP1B1 inhibitior + 0.9441 94.41%
OATP1B3 inhibitior + 0.9560 95.60%
MATE1 inhibitior - 0.9600 96.00%
OCT2 inhibitior - 0.9500 95.00%
BSEP inhibitior - 0.9031 90.31%
P-glycoprotein inhibitior - 0.8441 84.41%
P-glycoprotein substrate - 0.6301 63.01%
CYP3A4 substrate - 0.5407 54.07%
CYP2C9 substrate - 0.6277 62.77%
CYP2D6 substrate - 0.7581 75.81%
CYP3A4 inhibition - 0.9086 90.86%
CYP2C9 inhibition - 0.9510 95.10%
CYP2C19 inhibition - 0.8262 82.62%
CYP2D6 inhibition - 0.9210 92.10%
CYP1A2 inhibition - 0.9189 91.89%
CYP2C8 inhibition - 0.7472 74.72%
CYP inhibitory promiscuity - 0.9839 98.39%
UGT catelyzed + 0.7000 70.00%
Carcinogenicity (binary) - 0.7511 75.11%
Carcinogenicity (trinary) Non-required 0.7269 72.69%
Eye corrosion - 0.9935 99.35%
Eye irritation - 0.9691 96.91%
Skin irritation - 0.7912 79.12%
Skin corrosion - 0.9360 93.60%
Ames mutagenesis - 0.6270 62.70%
Human Ether-a-go-go-Related Gene inhibition - 0.4728 47.28%
Micronuclear + 0.6400 64.00%
Hepatotoxicity - 0.7390 73.90%
skin sensitisation - 0.8935 89.35%
Respiratory toxicity + 0.7000 70.00%
Reproductive toxicity + 0.7848 78.48%
Mitochondrial toxicity + 0.7250 72.50%
Nephrotoxicity - 0.6682 66.82%
Acute Oral Toxicity (c) III 0.6805 68.05%
Estrogen receptor binding + 0.5929 59.29%
Androgen receptor binding + 0.6704 67.04%
Thyroid receptor binding + 0.5202 52.02%
Glucocorticoid receptor binding + 0.6139 61.39%
Aromatase binding - 0.5000 50.00%
PPAR gamma + 0.5485 54.85%
Honey bee toxicity - 0.9450 94.50%
Biodegradation - 0.7500 75.00%
Crustacea aquatic toxicity - 0.6400 64.00%
Fish aquatic toxicity - 0.5575 55.75%

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
CHEMBL1255126 O15151 Protein Mdm4 98.60% 90.20%
CHEMBL2581 P07339 Cathepsin D 97.84% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 97.18% 97.21%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.18% 99.17%
CHEMBL2514 O95665 Neurotensin receptor 2 95.11% 100.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 93.87% 92.29%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.53% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.89% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.55% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.50% 93.56%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 92.37% 97.23%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.64% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 89.75% 100.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.55% 95.50%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 89.35% 82.86%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 87.77% 91.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.70% 95.56%
CHEMBL3891 P07384 Calpain 1 85.68% 93.04%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 85.52% 93.10%
CHEMBL4296013 Q5VWK5 Interleukin-23 receptor 85.29% 88.00%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 85.22% 85.00%
CHEMBL236 P41143 Delta opioid receptor 83.39% 99.35%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.27% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 82.21% 90.17%
CHEMBL1808 P12821 Angiotensin-converting enzyme 81.64% 93.39%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.44% 90.71%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.40% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 7021820
LOTUS LTS0152378
wikiData Q27141917