dbACP: A Comprehensive Database of Anti-Cancer Peptides

dbacp08303

General Description

Peptide name : ATRA1-R3W2 - HYD

Source/Organism : Synthetic

Linear/Cyclic : Linear

Chirality : L

Sequence Information

Sequence : RRWKRFFKRWKGGVIGVTFPF

Peptide length: 21

C-terminal modification: Linear

N-terminal modification : Amidation

Non-natural peptide information:

Activity Information

Assay type : Cytotoxicity assay

Assay time : 6-h

Activity : LD50 ~24.5 μM

Cell line : H-358

Cancer type : Lung Cancer

Other activity : Antimicrobial and Anticancer

Physicochemical Properties

Amino acid composition bar chart :

Molecular mass : 2669.1826 Dalton

Aliphatic index : 0.461

Instability index : 137.252

Hydrophobicity (GRAVY) : -0.519

Isoelectric point : 12

Charge (pH 7) : 6.7571

Aromaticity : 28.57

Molar extinction coefficient (cysteine, cystine): (0, 0)

Hydrophobic/hydrophilic ratio : 1.625

hydrophobic moment : -0.931

Missing amino acid : A,C,D,E,H,L,M,N,Q,S,Y

Most occurring amino acid : R

Most occurring amino acid frequency : 4

Least occurring amino acid : I

Least occurring amino acid frequency : 1

Structural Information

3D structure :

Secondary structure fraction (Helix, Turn, Sheet): (14., 19., 47.)

SMILES Notation: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C

Secondary Structure :

Method Prediction
GOR HHHHHHHHHHTTTCEEEECCC
Chou-Fasman (CF) HHHHHHHHCCEEEEEEEECCC
Neural Network (NN) HHHHHHHCCCCCCEEEEECCC
Joint/Consensus HHHHHHHHCCCCCEEEEECCC

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: 7714

Reference

Literature