dbacp08305
General Description
Peptide name : MAD1
Source/Organism : Synthetic
Linear/Cyclic : Linear
Chirality : L
Sequence Information
Sequence : KRWHWWRRHWVVW
Peptide length: 13
C-terminal modification: Linear
N-terminal modification : Amidation
Non-natural peptide information:
Activity Information
Assay type : MTT assay
Assay time : 48-h
Activity : IC50 = 36.2 μM
Cell line : A-549
Cancer type : Lung Cancer
Other activity : Antimicrobial
Physicochemical Properties
Amino acid composition bar chart :
Molecular mass : 2018.3348 Dalton
Aliphatic index : 0.446
Instability index : 144.5
Hydrophobicity (GRAVY) : -1.530
Isoelectric point : 12
Charge (pH 7) : 3.9334
Aromaticity : 38.46
Molar extinction coefficient (cysteine, cystine): (0, 0)
Hydrophobic/hydrophilic ratio : 1.1667
hydrophobic moment : -0.029
Missing amino acid : A,C,D,E,F,G,I,L,M,N,P,Q,S,T,Y
Most occurring amino acid : W
Most occurring amino acid frequency : 5
Least occurring amino acid : K
Least occurring amino acid frequency : 1
Structural Information
3D structure :
Secondary structure fraction (Helix, Turn, Sheet): (7.6, 0, 53.)
SMILES Notation: CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C
Secondary Structure :
| Method | Prediction |
|---|---|
| GOR | HHHHHHHHHHEEH |
| Chou-Fasman (CF) | CEEEECCEEECCC |
| Neural Network (NN) | HHHHHHHHHEEEE |
| Joint/Consensus | HHHHHHHHHEEEC |
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: 7782