Trichokonin-Ia

Details

• Internal ID: 16a23ae4-b1ce-48af-bfa3-f15543f15a23
• Taxonomy: Organic Polymers > Polypeptides
• IUPAC Name: 2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-N-[1-[[1-[[1-[[2-[[1-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[[5-amino-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide
• InChI: InChI=1S/C89H147N23O24/c1-44(2)40-57(70(124)94-50(10)75(129)112-39-29-32-58(112)72(126)103-63(45(3)4)73(127)110-89(24,25)82(136)111-88(22,23)80(134)102-55(34-37-60(91)116)69(123)101-54(33-36-59(90)115)68(122)98-53(43-113)41-52-30-27-26-28-31-52)99-62(118)42-93-76(130)83(12,13)109-74(128)64(46(5)6)104-81(135)87(20,21)108-71(125)56(35-38-61(92)117)100-65(119)47(7)95-78(132)85(16,17)106-67(121)49(9)97-79(133)86(18,19)107-66(120)48(8)96-77(131)84(14,15)105-51(11)114/h26-28,30-31,44-50,53-58,63-64,113H,29,32-43H2,1-25H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,130)(H,94,124)(H,95,132)(H,96,131)(H,97,133)(H,98,122)(H,99,118)(H,100,119)(H,101,123)(H,102,134)(H,103,126)(H,104,135)(H,105,114)(H,106,121)(H,107,120)(H,108,125)(H,109,128)(H,110,127)(H,111,136)
• InChI Key: WPBRLKDZISCSTH-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈₉H₁₄₇N₂₃O₂₄
• Molecular Weight: 1923.30 g/mol
• Exact Mass: 1922.09893265 g/mol
• Topological Polar Surface Area (TPSA): 723.00 Ų
• XlogP: -2.90

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	99.97%	98.95%
CHEMBL3837	P07711	Cathepsin L	99.67%	96.61%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	99.18%	98.33%
CHEMBL220	P22303	Acetylcholinesterase	97.82%	94.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	97.08%	93.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.03%	96.09%
CHEMBL1914	P06276	Butyrylcholinesterase	96.94%	95.00%
CHEMBL230	P35354	Cyclooxygenase-2	96.77%	89.63%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.38%	91.11%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	96.18%	98.24%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	95.87%	97.64%
CHEMBL2514	O95665	Neurotensin receptor 2	95.43%	100.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	95.00%	100.00%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	94.89%	96.03%
CHEMBL1873	P00750	Tissue-type plasminogen activator	94.81%	93.33%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	94.60%	97.14%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	94.20%	97.23%
CHEMBL340	P08684	Cytochrome P450 3A4	93.98%	91.19%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	93.66%	82.69%
CHEMBL221	P23219	Cyclooxygenase-1	93.48%	90.17%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	93.16%	93.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.20%	97.09%
CHEMBL4227	P25090	Lipoxin A4 receptor	91.99%	100.00%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	90.83%	98.94%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	90.55%	96.47%
CHEMBL4123	P30989	Neurotensin receptor 1	89.92%	96.67%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.44%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.79%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.61%	99.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.41%	95.89%
CHEMBL2664	P23526	Adenosylhomocysteinase	87.78%	86.67%
CHEMBL249	P25103	Neurokinin 1 receptor	87.05%	99.17%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	86.86%	83.14%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	86.80%	97.50%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	86.66%	88.42%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	86.44%	96.67%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	85.66%	81.29%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	85.58%	92.80%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	84.61%	95.83%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.27%	95.89%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	83.55%	95.17%
CHEMBL5028	O14672	ADAM10	83.06%	97.50%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	82.23%	89.33%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	82.06%	82.38%
CHEMBL237	P41145	Kappa opioid receptor	81.63%	98.10%
CHEMBL2535	P11166	Glucose transporter	81.55%	98.75%
CHEMBL259	P32245	Melanocortin receptor 4	81.49%	95.38%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	81.24%	97.43%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.21%	97.21%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.18%	90.71%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	80.95%	100.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.22%	95.50%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	80.21%	82.86%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	80.17%	96.28%
CHEMBL3176	O43603	Galanin receptor 2	80.07%	98.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139587801
• LOTUS: LTS0201258
• wikiData: Q77574366