dbacp08337
General Description
Peptide name : Sample Peptide 3 from EP3604345B1
Source/Organism : Synthetic
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : MRIFAVFIFMTYWHLLNAKKRTLRKNDRKKR
Peptide length: 31
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 = 56.7% at 25 μM
Cell line : NCI-H446
Cancer type : Lung Cancer
Other activity : Anticancer
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 3982.8163 Dalton
Aliphatic index : 0.787
Instability index : 35.4226
Hydrophobicity (GRAVY) : -0.609
Isoelectric point : 11.853
Charge (pH 7) : 8.5826
Aromaticity : 16.12
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 0.8235
hydrophobic moment : 0.5242
Missing amino acid : C,E,G,P,Q,S
Most occurring amino acid : R
Most occurring amino acid frequency : 5
Least occurring amino acid : V
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (38., 9.6, 41.)
SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)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@@H](C)O)[C@@H](C)CC)C(C)C
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHHHHHHHHHHHHHHHHHHHTHH |
| Chou-Fasman (CF) | EEEEEEEEEEEEHHHHHHHHCHHHHHHHCCC |
| Neural Network (NN) | HHHHHHHHHHHHHHHHHHHHHHHHHCCCCCC |
| Joint/Consensus | HHHHHHHHHHHHHHHHHHHHHHHHHHHHCCC |
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: 7837