dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp08306

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 = 85.6 μM

Cell line : NCI/ADR-RES

Cancer type : Ovarian 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: 7783

Reference

Literature