Trichosporin B-V

Details

• Internal ID: b35fb06e-914a-44b9-b2d5-709ee355857b
• Taxonomy: Organic Polymers > Polypeptides
• IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-(1-hydroxy-3-phenylpropan-2-yl)pentanediamide
• InChI: InChI=1S/C91H151N23O24/c1-27-48(6)65(105-80(135)86(15,16)108-71(126)57(37-40-62(94)119)103-79(134)88(19,20)112-81(136)89(21,22)107-68(123)51(9)97-66(121)49(7)96-67(122)50(8)98-77(132)85(13,14)106-52(10)116)75(130)111-84(11,12)76(131)95-44-63(120)100-58(42-46(2)3)72(127)109-91(25,26)83(138)114-41-31-34-59(114)73(128)104-64(47(4)5)74(129)110-90(23,24)82(137)113-87(17,18)78(133)102-56(36-39-61(93)118)70(125)101-55(35-38-60(92)117)69(124)99-54(45-115)43-53-32-29-28-30-33-53/h28-30,32-33,46-51,54-59,64-65,115H,27,31,34-45H2,1-26H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,131)(H,96,122)(H,97,121)(H,98,132)(H,99,124)(H,100,120)(H,101,125)(H,102,133)(H,103,134)(H,104,128)(H,105,135)(H,106,116)(H,107,123)(H,108,126)(H,109,127)(H,110,129)(H,111,130)(H,112,136)(H,113,137)/t48-,49-,50-,51-,54?,55-,56-,57-,58-,59-,64-,65-/m0/s1
• InChI Key: CZVJZNUEMWYEAB-DKOFGDBXSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉₁H₁₅₁N₂₃O₂₄
• Molecular Weight: 1951.30 g/mol
• Exact Mass: 1950.13023278 g/mol
• Topological Polar Surface Area (TPSA): 723.00 Ų
• XlogP: -2.40

Synonyms

• 107426-95-9
• Alamethicin I, 2-L-alanine-3-L-alanine-6-(2-methylalanine)-9-L-isoleucine-18-L-glutamine-

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	99.98%	98.95%
CHEMBL3837	P07711	Cathepsin L	99.71%	96.61%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	98.75%	98.33%
CHEMBL220	P22303	Acetylcholinesterase	98.63%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.94%	96.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	97.44%	93.56%
CHEMBL1914	P06276	Butyrylcholinesterase	96.26%	95.00%
CHEMBL221	P23219	Cyclooxygenase-1	95.79%	90.17%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	95.75%	97.64%
CHEMBL340	P08684	Cytochrome P450 3A4	95.45%	91.19%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	95.43%	100.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	95.27%	97.14%
CHEMBL2514	O95665	Neurotensin receptor 2	95.24%	100.00%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	94.45%	97.23%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	93.95%	98.24%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	93.69%	96.03%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	93.60%	98.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	93.22%	97.09%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	92.73%	93.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.59%	91.11%
CHEMBL1873	P00750	Tissue-type plasminogen activator	92.52%	93.33%
CHEMBL230	P35354	Cyclooxygenase-2	91.81%	89.63%
CHEMBL4227	P25090	Lipoxin A4 receptor	91.59%	100.00%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.59%	82.69%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	91.46%	83.14%
CHEMBL2664	P23526	Adenosylhomocysteinase	91.37%	86.67%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	90.00%	96.47%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.82%	99.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	89.80%	95.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.01%	96.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	88.89%	97.21%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.31%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.60%	95.89%
CHEMBL4123	P30989	Neurotensin receptor 1	85.71%	96.67%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	85.55%	88.42%
CHEMBL5701	Q9H2K8	Serine/threonine-protein kinase TAO3	85.38%	96.67%
CHEMBL1841	P06241	Tyrosine-protein kinase FYN	84.75%	81.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.52%	96.95%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	84.34%	97.50%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	84.29%	97.43%
CHEMBL2535	P11166	Glucose transporter	83.80%	98.75%
CHEMBL5028	O14672	ADAM10	83.74%	97.50%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	82.90%	82.38%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.81%	95.89%
CHEMBL5261	Q7L7X3	Serine/threonine-protein kinase TAO1	82.38%	89.33%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	81.74%	92.80%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.53%	95.83%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.17%	90.71%
CHEMBL259	P32245	Melanocortin receptor 4	81.03%	95.38%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.67%	95.50%
CHEMBL3202	P48147	Prolyl endopeptidase	80.37%	90.65%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16132406
• LOTUS: LTS0134224
• wikiData: Q104973202