H-Gly-DL-Leu-DL-xiIle-DL-Ser-DL-Asn-DL-Leu-Gly-DL-xiIle-OH

Details

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Internal ID b5ef1fdc-81a3-44b8-ab02-6ea86ca2c2e1
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
IUPAC Name 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C35H63N9O11/c1-9-19(7)28(44-32(51)22(12-18(5)6)39-26(47)14-36)34(53)42-24(16-45)33(52)41-23(13-25(37)46)31(50)40-21(11-17(3)4)30(49)38-15-27(48)43-29(35(54)55)20(8)10-2/h17-24,28-29,45H,9-16,36H2,1-8H3,(H2,37,46)(H,38,49)(H,39,47)(H,40,50)(H,41,52)(H,42,53)(H,43,48)(H,44,51)(H,54,55)
InChI Key UGCXWVUSHLHZJY-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C35H63N9O11
Molecular Weight 785.90 g/mol
Exact Mass 785.46470386 g/mol
Topological Polar Surface Area (TPSA) 330.00 Ų
XlogP -2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of H-Gly-DL-Leu-DL-xiIle-DL-Ser-DL-Asn-DL-Leu-Gly-DL-xiIle-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
CHEMBL2581 P07339 Cathepsin D 99.48% 98.95%
CHEMBL3837 P07711 Cathepsin L 98.48% 96.61%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 96.72% 96.95%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 96.38% 97.23%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 96.02% 97.21%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.49% 96.09%
CHEMBL4018 P49146 Neuropeptide Y receptor type 2 95.36% 98.94%
CHEMBL3359 P21462 Formyl peptide receptor 1 95.26% 93.56%
CHEMBL236 P41143 Delta opioid receptor 95.25% 99.35%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 95.05% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 94.98% 90.17%
CHEMBL3176 O43603 Galanin receptor 2 93.82% 98.89%
CHEMBL1255126 O15151 Protein Mdm4 93.78% 90.20%
CHEMBL2514 O95665 Neurotensin receptor 2 93.77% 100.00%
CHEMBL4040 P28482 MAP kinase ERK2 93.76% 83.82%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.72% 99.17%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 91.59% 88.42%
CHEMBL230 P35354 Cyclooxygenase-2 91.52% 89.63%
CHEMBL4801 P29466 Caspase-1 91.47% 96.85%
CHEMBL2413 P32246 C-C chemokine receptor type 1 90.42% 89.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.34% 96.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 89.63% 96.67%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.60% 96.47%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 89.33% 89.33%
CHEMBL2885 P07451 Carbonic anhydrase III 88.12% 87.45%
CHEMBL2094135 Q96BI3 Gamma-secretase 87.89% 98.05%
CHEMBL3437 Q16853 Amine oxidase, copper containing 87.12% 94.00%
CHEMBL340 P08684 Cytochrome P450 3A4 86.77% 91.19%
CHEMBL4816 Q9Y243 Serine/threonine-protein kinase AKT3 86.59% 96.28%
CHEMBL3308 P55212 Caspase-6 85.87% 97.56%
CHEMBL237 P41145 Kappa opioid receptor 84.30% 98.10%
CHEMBL3776 Q14790 Caspase-8 83.78% 97.06%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 83.65% 95.71%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.36% 90.71%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 83.32% 92.26%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.06% 91.11%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 82.72% 98.33%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.67% 97.29%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.66% 95.50%
CHEMBL4079 P25098 G-protein coupled receptor kinase 2 82.62% 97.95%
CHEMBL3024 P53350 Serine/threonine-protein kinase PLK1 82.04% 97.43%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.97% 93.00%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 81.54% 97.88%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.47% 89.34%
CHEMBL4625 Q07817 Apoptosis regulator Bcl-X 80.88% 99.77%
CHEMBL2973 O75116 Rho-associated protein kinase 2 80.86% 96.73%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 80.25% 92.29%
CHEMBL4588 P22894 Matrix metalloproteinase 8 80.12% 94.66%

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 163001528
LOTUS LTS0239512
wikiData Q105272268