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

Details

• Internal ID: 88ecdde3-4636-4e83-a7c0-d2d24c3d53b9
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
• InChI: InChI=1S/C44H79N11O14/c1-21(2)11-26(37(61)47-18-36(60)49-28(13-23(5)6)39(63)52-30(16-34(46)58)41(65)53-31(44(68)69)15-25(9)10)50-42(66)32(19-56)55-43(67)33(20-57)54-40(64)29(14-24(7)8)51-38(62)27(12-22(3)4)48-35(59)17-45/h21-33,56-57H,11-20,45H2,1-10H3,(H2,46,58)(H,47,61)(H,48,59)(H,49,60)(H,50,66)(H,51,62)(H,52,63)(H,53,65)(H,54,64)(H,55,67)(H,68,69)
• InChI Key: JCWSPBAUIIJKRC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₄H₇₉N₁₁O₁₄
• Molecular Weight: 986.20 g/mol
• Exact Mass: 985.58079624 g/mol
• Topological Polar Surface Area (TPSA): 409.00 Ų
• XlogP: -3.10

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	98.81%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	98.15%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	97.05%	90.17%
CHEMBL236	P41143	Delta opioid receptor	96.52%	99.35%
CHEMBL1255126	O15151	Protein Mdm4	95.39%	90.20%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	94.63%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.59%	96.09%
CHEMBL3837	P07711	Cathepsin L	94.35%	96.61%
CHEMBL3359	P21462	Formyl peptide receptor 1	94.33%	93.56%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	93.73%	100.00%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	93.40%	97.23%
CHEMBL3176	O43603	Galanin receptor 2	92.99%	98.89%
CHEMBL230	P35354	Cyclooxygenase-2	92.96%	89.63%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.50%	99.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	91.50%	97.21%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	91.37%	92.80%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	90.79%	96.47%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.51%	96.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	89.97%	92.29%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	89.77%	89.33%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	89.76%	96.67%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	89.75%	98.94%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.46%	91.11%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	88.70%	88.42%
CHEMBL2413	P32246	C-C chemokine receptor type 1	88.37%	89.50%
CHEMBL2094135	Q96BI3	Gamma-secretase	87.51%	98.05%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	87.51%	96.28%
CHEMBL2514	O95665	Neurotensin receptor 2	86.91%	100.00%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	86.54%	97.88%
CHEMBL3437	Q16853	Amine oxidase, copper containing	86.17%	94.00%
CHEMBL237	P41145	Kappa opioid receptor	85.59%	98.10%
CHEMBL340	P08684	Cytochrome P450 3A4	85.07%	91.19%
CHEMBL2885	P07451	Carbonic anhydrase III	85.00%	87.45%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	84.80%	93.00%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	83.49%	95.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.34%	94.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.10%	90.71%
CHEMBL1981	P06213	Insulin receptor	82.49%	97.37%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.12%	95.50%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	80.14%	96.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162844718
• LOTUS: LTS0081584
• wikiData: Q105125218