Sinulariapeptide D

Details

• Internal ID: fc972231-05dd-4d51-a8ae-97a682b3cbfb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: 2-[[(2S)-4-methyl-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]benzoic acid
• InChI: InChI=1S/C23H29N3O4/c1-15(2)13-20(22(28)25-18-12-8-7-11-17(18)23(29)30)26-21(27)19(24-3)14-16-9-5-4-6-10-16/h4-12,15,19-20,24H,13-14H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)/t19-,20+/m1/s1
• InChI Key: UBDWLHPISVQREF-UXHICEINSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₉N₃O₄
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.21580641 g/mol
• Topological Polar Surface Area (TPSA): 108.00 Ų
• XlogP: 1.60

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	99.53%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	98.86%	90.17%
CHEMBL3837	P07711	Cathepsin L	95.14%	96.61%
CHEMBL1255126	O15151	Protein Mdm4	94.00%	90.20%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	93.26%	95.50%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.14%	96.09%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	91.78%	93.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.95%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.83%	99.17%
CHEMBL3891	P07384	Calpain 1	88.77%	93.04%
CHEMBL3308	P55212	Caspase-6	87.96%	97.56%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.72%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.76%	93.56%
CHEMBL2535	P11166	Glucose transporter	84.28%	98.75%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.91%	97.14%
CHEMBL5847	P52895	Aldo-keto reductase family 1 member C2	83.43%	92.50%
CHEMBL2321614	Q9NPC2	Potassium channel subfamily K member 9	82.56%	80.00%
CHEMBL2096618	P11274	Bcr/Abl fusion protein	81.45%	85.83%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	81.45%	100.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.03%	89.34%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	80.96%	98.33%
CHEMBL3401	O75469	Pregnane X receptor	80.90%	94.73%
CHEMBL5028	O14672	ADAM10	80.76%	97.50%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	80.55%	92.80%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139591012
• LOTUS: LTS0077567
• wikiData: Q105269245