Stictamide B

Details

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Internal ID 36622e69-1b48-4f49-8dfa-af3fbf1eee65
Taxonomy Organic acids and derivatives > Peptidomimetics > Hybrid peptides
IUPAC Name (2S)-2-[[(3S,4S)-4-[[(2R)-5-(diaminomethylideneamino)-2-[4-(4-hydroxyphenyl)butanoylamino]pentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C36H46N6O8/c37-36(38)39-19-5-9-28(40-32(46)10-4-8-23-11-15-26(43)16-12-23)34(48)42-29(20-24-6-2-1-3-7-24)31(45)22-33(47)41-30(35(49)50)21-25-13-17-27(44)18-14-25/h1-3,6-7,11-18,28-31,43-45H,4-5,8-10,19-22H2,(H,40,46)(H,41,47)(H,42,48)(H,49,50)(H4,37,38,39)/t28-,29+,30+,31+/m1/s1
InChI Key ORWSPLPFCCECQV-BHSUFKTOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C36H46N6O8
Molecular Weight 690.80 g/mol
Exact Mass 690.33771245 g/mol
Topological Polar Surface Area (TPSA) 250.00 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Stictamide B

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 99.83% 98.95%
CHEMBL1255126 O15151 Protein Mdm4 99.13% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 98.97% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.89% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.10% 96.09%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 93.72% 100.00%
CHEMBL2535 P11166 Glucose transporter 93.35% 98.75%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 92.90% 100.00%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 92.71% 97.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 92.39% 95.50%
CHEMBL3891 P07384 Calpain 1 91.26% 93.04%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 91.11% 95.89%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 91.05% 96.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.82% 95.56%
CHEMBL2514 O95665 Neurotensin receptor 2 89.72% 100.00%
CHEMBL236 P41143 Delta opioid receptor 89.42% 99.35%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 89.41% 95.17%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 89.11% 94.62%
CHEMBL2094135 Q96BI3 Gamma-secretase 88.59% 98.05%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.12% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.94% 94.45%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 87.60% 89.33%
CHEMBL245 P20309 Muscarinic acetylcholine receptor M3 87.17% 97.53%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 87.10% 91.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.34% 93.56%
CHEMBL3837 P07711 Cathepsin L 85.24% 96.61%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 84.46% 82.86%
CHEMBL4630 O14757 Serine/threonine-protein kinase Chk1 83.96% 97.03%
CHEMBL2327 P21452 Neurokinin 2 receptor 83.94% 98.89%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.92% 97.21%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 83.91% 93.00%
CHEMBL4447 Q9Y337 Kallikrein 5 83.62% 87.50%
CHEMBL4777 P25929 Neuropeptide Y receptor type 1 82.94% 96.67%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.04% 96.95%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 81.17% 95.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 53306462
LOTUS LTS0121462
wikiData Q77500762