H-DL-Asn-Gly-DL-Pro-DL-Leu-DL-Gln-DL-Ala-Gly-DL-Gln-DL-Pro-Gly-DL-Glu-DL-Arg-OH

Details

• Internal ID: 648847e3-91ab-494d-8473-b4b9c620b888
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: 4-[[2-[[1-[5-amino-2-[[2-[2-[[5-amino-2-[[2-[[1-[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
• InChI: InChI=1S/C50H82N18O18/c1-24(2)19-31(66-47(83)33-9-5-17-67(33)39(74)23-60-42(78)26(51)20-36(54)71)45(81)64-28(10-13-34(52)69)43(79)61-25(3)41(77)58-21-38(73)63-29(11-14-35(53)70)48(84)68-18-6-8-32(68)46(82)59-22-37(72)62-27(12-15-40(75)76)44(80)65-30(49(85)86)7-4-16-57-50(55)56/h24-33H,4-23,51H2,1-3H3,(H2,52,69)(H2,53,70)(H2,54,71)(H,58,77)(H,59,82)(H,60,78)(H,61,79)(H,62,72)(H,63,73)(H,64,81)(H,65,80)(H,66,83)(H,75,76)(H,85,86)(H4,55,56,57)
• InChI Key: GJRNDKUPKZCKJJ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₀H₈₂N₁₈O₁₈
• Molecular Weight: 1223.30 g/mol
• Exact Mass: 1222.60544784 g/mol
• Topological Polar Surface Area (TPSA): 597.00 Ų
• XlogP: -10.60

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	99.90%	98.95%
CHEMBL236	P41143	Delta opioid receptor	99.90%	99.35%
CHEMBL230	P35354	Cyclooxygenase-2	99.71%	89.63%
CHEMBL204	P00734	Thrombin	99.59%	96.01%
CHEMBL237	P41145	Kappa opioid receptor	99.54%	98.10%
CHEMBL4777	P25929	Neuropeptide Y receptor type 1	99.42%	96.67%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	99.39%	93.10%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	99.32%	98.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.07%	96.09%
CHEMBL4625	Q07817	Apoptosis regulator Bcl-X	98.68%	99.77%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	98.68%	82.69%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	98.60%	98.94%
CHEMBL3837	P07711	Cathepsin L	98.44%	96.61%
CHEMBL2514	O95665	Neurotensin receptor 2	98.44%	100.00%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	97.86%	98.24%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	97.78%	95.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	97.65%	93.56%
CHEMBL4361	Q07820	Induced myeloid leukemia cell differentiation protein Mcl-1	97.57%	95.52%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	97.43%	92.38%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	97.27%	96.47%
CHEMBL4040	P28482	MAP kinase ERK2	96.55%	83.82%
CHEMBL3176	O43603	Galanin receptor 2	96.36%	98.89%
CHEMBL1255126	O15151	Protein Mdm4	95.85%	90.20%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	95.84%	100.00%
CHEMBL4123	P30989	Neurotensin receptor 1	95.74%	96.67%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	95.40%	90.71%
CHEMBL274	P51681	C-C chemokine receptor type 5	95.34%	98.77%
CHEMBL4588	P22894	Matrix metalloproteinase 8	95.14%	94.66%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	94.80%	96.03%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	94.74%	82.38%
CHEMBL4801	P29466	Caspase-1	94.58%	96.85%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.11%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	94.05%	90.17%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	94.04%	93.00%
CHEMBL340	P08684	Cytochrome P450 3A4	93.88%	91.19%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	93.82%	97.50%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	93.78%	88.42%
CHEMBL259	P32245	Melanocortin receptor 4	93.74%	95.38%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.68%	96.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.27%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.17%	91.11%
CHEMBL4227	P25090	Lipoxin A4 receptor	92.86%	100.00%
CHEMBL249	P25103	Neurokinin 1 receptor	92.23%	99.17%
CHEMBL1873	P00750	Tissue-type plasminogen activator	91.93%	93.33%
CHEMBL220	P22303	Acetylcholinesterase	91.48%	94.45%
CHEMBL206	P03372	Estrogen receptor alpha	91.48%	97.64%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	91.45%	83.14%
CHEMBL1981	P06213	Insulin receptor	91.03%	97.37%
CHEMBL3234	P08631	Tyrosine-protein kinase HCK	90.69%	88.89%
CHEMBL2094135	Q96BI3	Gamma-secretase	90.23%	98.05%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	89.85%	96.00%
CHEMBL4618	P09960	Leukotriene A4 hydrolase	89.52%	97.86%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	89.43%	95.89%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	89.17%	97.21%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	89.06%	95.71%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	88.43%	96.38%
CHEMBL4198	P98170	Inhibitor of apoptosis protein 3	88.43%	97.79%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	88.19%	97.23%
CHEMBL3018	Q9Y5Y6	Matriptase	88.11%	98.33%
CHEMBL3392948	Q9NP59	Solute carrier family 40 member 1	87.83%	95.00%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	87.37%	97.43%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	86.87%	90.24%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	86.68%	81.29%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	86.44%	97.64%
CHEMBL4644	P41968	Melanocortin receptor 3	86.33%	99.52%
CHEMBL3238	P23786	Carnitine palmitoyltransferase 2	86.24%	94.05%
CHEMBL3430907	Q96GD4	Aurora kinase B/Inner centromere protein	85.96%	97.50%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	85.96%	96.25%
CHEMBL2803	P43403	Tyrosine-protein kinase ZAP-70	85.78%	82.50%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	85.53%	96.67%
CHEMBL4608	P33032	Melanocortin receptor 5	85.30%	97.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	84.59%	95.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.57%	95.89%
CHEMBL3105	P09874	Poly [ADP-ribose] polymerase-1	84.56%	93.90%
CHEMBL3468	P55210	Caspase-7	84.53%	95.68%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.35%	89.62%
CHEMBL5203	P33316	dUTP pyrophosphatase	84.29%	99.18%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.62%	94.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.34%	94.45%
CHEMBL2534	O15530	3-phosphoinositide dependent protein kinase-1	82.31%	95.36%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	82.24%	92.32%
CHEMBL5028	O14672	ADAM10	82.22%	97.50%
CHEMBL1075317	P61964	WD repeat-containing protein 5	81.97%	96.33%
CHEMBL3784	Q09472	Histone acetyltransferase p300	81.65%	93.33%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	81.17%	91.81%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.10%	97.14%
CHEMBL4330	Q9NS75	Cysteinyl leukotriene receptor 2	80.63%	98.00%
CHEMBL5747	Q92793	CREB-binding protein	80.25%	95.12%
CHEMBL261	P00915	Carbonic anhydrase I	80.02%	96.76%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162849688
• LOTUS: LTS0064417
• wikiData: Q105009530