dbACP: A Comprehensive Database of Anti-Cancer Peptides

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

Reference

Literature