cyclo[Asp-Phe-Trp-Lys-Val-nTyr-Pro-Tyr]

Details

• Internal ID: ddf92e27-9ef8-457c-a609-2a86f8234cfa
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: 2-[(3S,6S,9S,12S,15S,18S,21S,24S)-9-(4-aminobutyl)-15-benzyl-3-(4-hydroxyphenyl)-21-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,23-octaoxo-6-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-18-yl]acetic acid
• InChI: InChI=1S/C57H68N10O12/c1-32(2)48-56(78)66-49(35-19-23-38(69)24-20-35)57(79)67-26-10-16-46(67)55(77)64-43(28-34-17-21-37(68)22-18-34)52(74)63-45(30-47(70)71)54(76)61-42(27-33-11-4-3-5-12-33)51(73)62-44(29-36-31-59-40-14-7-6-13-39(36)40)53(75)60-41(50(72)65-48)15-8-9-25-58/h3-7,11-14,17-24,31-32,41-46,48-49,59,68-69H,8-10,15-16,25-30,58H2,1-2H3,(H,60,75)(H,61,76)(H,62,73)(H,63,74)(H,64,77)(H,65,72)(H,66,78)(H,70,71)/t41-,42-,43-,44-,45-,46-,48-,49-/m0/s1
• InChI Key: BICXFXRKSZXLTI-CEQQNCMWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₇H₆₈N₁₀O₁₂
• Molecular Weight: 1085.20 g/mol
• Exact Mass: 1084.50181764 g/mol
• Topological Polar Surface Area (TPSA): 344.00 Ų
• XlogP: 1.30

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	99.86%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.47%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.45%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	98.42%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.30%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.94%	97.09%
CHEMBL5103	Q969S8	Histone deacetylase 10	96.62%	90.08%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.04%	94.45%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	94.98%	91.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	94.93%	95.89%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	94.58%	97.64%
CHEMBL3310	Q96DB2	Histone deacetylase 11	92.74%	88.56%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	92.71%	82.38%
CHEMBL5805	Q9NR97	Toll-like receptor 8	92.53%	96.25%
CHEMBL1293287	P14735	Insulin-degrading enzyme	91.03%	88.10%
CHEMBL3524	P56524	Histone deacetylase 4	89.27%	92.97%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	88.99%	90.71%
CHEMBL1902	P62942	FK506-binding protein 1A	87.55%	97.05%
CHEMBL217	P14416	Dopamine D2 receptor	87.33%	95.62%
CHEMBL213	P08588	Beta-1 adrenergic receptor	84.64%	95.56%
CHEMBL5203	P33316	dUTP pyrophosphatase	84.29%	99.18%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.87%	95.50%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	81.44%	94.62%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.41%	100.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.94%	99.15%
CHEMBL2996	Q05655	Protein kinase C delta	80.87%	97.79%
CHEMBL4523377	Q86WV6	Stimulator of interferon genes protein	80.82%	95.48%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	80.55%	90.93%
CHEMBL2535	P11166	Glucose transporter	80.43%	98.75%
CHEMBL3384	Q16512	Protein kinase N1	80.24%	80.71%
CHEMBL4296	Q15858	Sodium channel protein type IX alpha subunit	80.03%	96.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163185155
• LOTUS: LTS0078103
• wikiData: Q104936383