H-Val-D-gGlu-D-Arg-Gly-OH

Details

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Internal ID 77e47061-ac95-43c4-97d9-7c56193d2253
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
IUPAC Name (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[[(2R)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
SMILES (Canonical) CC(C)C(C(=O)NC(CCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O)N
SMILES (Isomeric) CC(C)[C@@H](C(=O)N[C@H](CCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O)N
InChI InChI=1S/C18H33N7O7/c1-9(2)14(19)16(30)25-11(17(31)32)5-6-12(26)24-10(4-3-7-22-18(20)21)15(29)23-8-13(27)28/h9-11,14H,3-8,19H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)(H,27,28)(H,31,32)(H4,20,21,22)/t10-,11-,14+/m1/s1
InChI Key LTKLLKUVWGIOLS-GYSYKLTISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H33N7O7
Molecular Weight 459.50 g/mol
Exact Mass 459.24414642 g/mol
Topological Polar Surface Area (TPSA) 252.00 Ų
XlogP -4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of H-Val-D-gGlu-D-Arg-Gly-OH

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
CHEMBL4040 P28482 MAP kinase ERK2 99.90% 83.82%
CHEMBL2581 P07339 Cathepsin D 99.08% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.04% 99.17%
CHEMBL236 P41143 Delta opioid receptor 96.40% 99.35%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.49% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.09% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 94.89% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 92.33% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.80% 96.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.73% 93.56%
CHEMBL1255126 O15151 Protein Mdm4 91.56% 90.20%
CHEMBL4608 P33032 Melanocortin receptor 5 91.31% 97.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.17% 90.71%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 90.85% 96.47%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.30% 94.45%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 90.15% 96.67%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 89.40% 97.23%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 88.99% 96.28%
CHEMBL2514 O95665 Neurotensin receptor 2 88.82% 100.00%
CHEMBL3776 Q14790 Caspase-8 86.67% 97.06%
CHEMBL2413 P32246 C-C chemokine receptor type 1 86.43% 89.50%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 85.82% 97.88%
CHEMBL3784 Q09472 Histone acetyltransferase p300 85.13% 93.33%
CHEMBL2094135 Q96BI3 Gamma-secretase 84.75% 98.05%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 84.71% 98.33%
CHEMBL3308 P55212 Caspase-6 84.27% 97.56%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 84.18% 93.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 83.87% 96.67%
CHEMBL4644 P41968 Melanocortin receptor 3 83.74% 99.52%
CHEMBL2885 P07451 Carbonic anhydrase III 81.95% 87.45%
CHEMBL259 P32245 Melanocortin receptor 4 80.39% 95.38%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.25% 96.00%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 80.24% 89.33%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.05% 95.89%
CHEMBL4581 P52732 Kinesin-like protein 1 80.03% 93.18%

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.
Panax ginseng

Cross-Links

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PubChem 15838983
LOTUS LTS0074561
wikiData Q105156985