H-DL-Arg-DL-Leu-DL-Arg-DL-Arg-DL-Arg-NHBuNH2

Details

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Internal ID 7c91b931-9479-4442-9cf1-95a4cb88dc3a
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
IUPAC Name N-[1-[[1-[[1-(4-aminobutylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C34H71N19O5/c1-20(2)19-25(53-26(54)21(36)9-5-15-46-31(37)38)30(58)52-24(12-8-18-49-34(43)44)29(57)51-23(11-7-17-48-33(41)42)28(56)50-22(10-6-16-47-32(39)40)27(55)45-14-4-3-13-35/h20-25H,3-19,35-36H2,1-2H3,(H,45,55)(H,50,56)(H,51,57)(H,52,58)(H,53,54)(H4,37,38,46)(H4,39,40,47)(H4,41,42,48)(H4,43,44,49)
InChI Key YHRZRWLQHQGLJN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C34H71N19O5
Molecular Weight 826.10 g/mol
Exact Mass 825.58855644 g/mol
Topological Polar Surface Area (TPSA) 455.00 Ų
XlogP -5.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of H-DL-Arg-DL-Leu-DL-Arg-DL-Arg-DL-Arg-NHBuNH2

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 98.57% 98.95%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 98.50% 96.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.13% 96.09%
CHEMBL3837 P07711 Cathepsin L 97.53% 96.61%
CHEMBL2094135 Q96BI3 Gamma-secretase 97.34% 98.05%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 96.51% 97.21%
CHEMBL3359 P21462 Formyl peptide receptor 1 96.09% 93.56%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 95.63% 98.33%
CHEMBL4018 P49146 Neuropeptide Y receptor type 2 95.50% 98.94%
CHEMBL2514 O95665 Neurotensin receptor 2 95.37% 100.00%
CHEMBL237 P41145 Kappa opioid receptor 94.93% 98.10%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.88% 91.11%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 94.24% 97.23%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 93.91% 100.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 93.62% 92.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 93.02% 96.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.52% 99.17%
CHEMBL3018 Q9Y5Y6 Matriptase 92.52% 98.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 91.23% 100.00%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 91.04% 93.10%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 90.06% 96.28%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.87% 96.47%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.70% 97.29%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.99% 90.71%
CHEMBL2885 P07451 Carbonic anhydrase III 88.29% 87.45%
CHEMBL1255126 O15151 Protein Mdm4 88.25% 90.20%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.41% 96.00%
CHEMBL236 P41143 Delta opioid receptor 87.03% 99.35%
CHEMBL2973 O75116 Rho-associated protein kinase 2 84.87% 96.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.65% 94.45%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 83.99% 83.10%
CHEMBL1628481 P35414 Apelin receptor 83.82% 97.89%
CHEMBL1795117 Q8TEK3 Histone-lysine N-methyltransferase, H3 lysine-79 specific 83.80% 93.56%
CHEMBL1801 P00747 Plasminogen 83.26% 92.44%
CHEMBL221 P23219 Cyclooxygenase-1 83.16% 90.17%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.16% 94.33%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 83.08% 95.71%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 82.06% 96.25%
CHEMBL3776 Q14790 Caspase-8 82.00% 97.06%
CHEMBL3308 P55212 Caspase-6 81.87% 97.56%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.72% 96.90%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.34% 95.89%
CHEMBL4040 P28482 MAP kinase ERK2 81.26% 83.82%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.15% 94.00%
CHEMBL1968 P07099 Epoxide hydrolase 1 80.89% 98.57%
CHEMBL340 P08684 Cytochrome P450 3A4 80.64% 91.19%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 80.61% 96.03%

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 162903903
LOTUS LTS0123304
wikiData Q104201719