Cardioacceleratory peptide-2

Details

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Internal ID be893fe4-7601-47be-bed1-877b4f359c04
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
IUPAC Name N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILES (Canonical) CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N)NC(=O)C4CCC(=O)N4
SMILES (Isomeric) C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)C4CCC(=O)N4)O
InChI InChI=1S/C47H65N11O14/c1-23(2)16-31(52-41(66)30-14-15-37(64)51-30)42(67)57-38(24(3)61)46(71)54-32(17-26-10-6-5-7-11-26)43(68)58-39(25(4)62)47(72)56-35(22-60)45(70)55-34(21-59)44(69)53-33(40(65)50-20-36(48)63)18-27-19-49-29-13-9-8-12-28(27)29/h5-13,19,23-25,30-35,38-39,49,59-62H,14-18,20-22H2,1-4H3,(H2,48,63)(H,50,65)(H,51,64)(H,52,66)(H,53,69)(H,54,71)(H,55,70)(H,56,72)(H,57,67)(H,58,68)/t24-,25-,30?,31+,32+,33+,34+,35+,38+,39+/m1/s1
InChI Key JWRLBCPURJXBDR-JCEAYHLKSA-N
Popularity 298 references in papers

Physical and Chemical Properties

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Molecular Formula C47H65N11O14
Molecular Weight 1008.10 g/mol
Exact Mass 1007.47124579 g/mol
Topological Polar Surface Area (TPSA) 402.00 Ų
XlogP -2.60

Synonyms

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Pglu-leu-thr-phe-thr-ser-ser-trp-gly-NH2
AKH (Bombyx mori)
AKH-M
H-AKH
Cardioacceleratory peptide-2
Manduca sexta cardioacceleratory peptides
SCHEMBL29380055
Glycinamide, 5-oxo-L-prolyl-L-leucyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-seryl-L-tryptophy-

2D Structure

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2D Structure of Cardioacceleratory peptide-2

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 99.96% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 99.81% 83.82%
CHEMBL3837 P07711 Cathepsin L 99.56% 96.61%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 98.99% 97.64%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.30% 91.11%
CHEMBL3310 Q96DB2 Histone deacetylase 11 97.90% 88.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.68% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.27% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 97.17% 90.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.45% 97.09%
CHEMBL5103 Q969S8 Histone deacetylase 10 95.85% 90.08%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 95.21% 83.10%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 94.77% 98.33%
CHEMBL1255126 O15151 Protein Mdm4 94.29% 90.20%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 93.89% 88.42%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 93.84% 91.81%
CHEMBL259 P32245 Melanocortin receptor 4 93.61% 95.38%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 92.71% 97.23%
CHEMBL3176 O43603 Galanin receptor 2 92.34% 98.89%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 91.92% 96.47%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 91.88% 97.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.97% 94.45%
CHEMBL213 P08588 Beta-1 adrenergic receptor 89.98% 95.56%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 89.13% 100.00%
CHEMBL4208 P20618 Proteasome component C5 88.12% 90.00%
CHEMBL4123 P30989 Neurotensin receptor 1 87.46% 96.67%
CHEMBL5028 O14672 ADAM10 86.90% 97.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.67% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.58% 99.17%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.33% 91.71%
CHEMBL2535 P11166 Glucose transporter 86.13% 98.75%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.19% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.98% 100.00%
CHEMBL2514 O95665 Neurotensin receptor 2 84.78% 100.00%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 83.35% 95.83%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 83.07% 95.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 82.68% 96.67%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.40% 93.03%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.15% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.14% 93.99%
CHEMBL340 P08684 Cytochrome P450 3A4 81.33% 91.19%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.43% 93.56%
CHEMBL255 P29275 Adenosine A2b receptor 80.26% 98.59%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.15% 99.23%

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 123821
LOTUS LTS0082924
wikiData Q105136326