dbacp08331
General Description
Peptide name : Sample Peptide 1 from EP3604345B1
Source/Organism : Synthetic
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : MQIPQAPWPVVWAVLQLGWRKKRTLRKNDRKKR
Peptide length: 33
C-terminal modification: Linear
N-terminal modification : Amidation
Non-natural peptide information:
Activity Information
Assay type : CCK-8 / WST-8
Assay time : 48-h
Activity : Cell Viability = 62.3% at 25 μM
Cell line : MDA-MB-231
Cancer type : Breast Cancer
Other activity : Anticancer
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 4084.8886 Dalton
Aliphatic index : 0.797
Instability index : 55.5485
Hydrophobicity (GRAVY) : -1.033
Isoelectric point : 12
Charge (pH 7) : 8.4964
Aromaticity : 9.090
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 1.0625
hydrophobic moment : -0.777
Missing amino acid : C,E,F,H,S,Y
Most occurring amino acid : R
Most occurring amino acid frequency : 5
Least occurring amino acid : M
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (33., 18., 33.)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | EECCCCCCCEEEHHHHHHHHHHHHHHHHHHTHH |
| Chou-Fasman (CF) | EECCCCEEEEEECCCEECHHHHCHHHHHHHCCC |
| Neural Network (NN) | CCCCCCCCCHHHHHHHHHHHHHCHHCCCCCCCC |
| Joint/Consensus | EECCCCCCCEEEHHHHHHHHHHCHHHHHHHCCC |
Molecular Descriptors and ADMET Properties
Molecular Descriptors: Click here to download
ADMET Properties: Click here to download
Cross Referencing databases
Pubmed Id :
Uniprot : Not available
PDB : Not available
CancerPPD : Not available
ApIAPDB : Not available
CancerPPD2 ID: 7840