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Primary-literature peptidehigh evidence

PEPDIA-PLP-002456

R44KP

Aliases: R44KP

FASTA CSV JSON

Normalized sequence

RKKRRQRRRGGGGITDFGIFIGLGGGGSRQIKIWFQNRRMKWKK

44 amino acids

Release PepDiana-V1-20260620

36

Activity records

1

Source papers

21

Positive

15

Negative / threshold

Versioned scientific descriptors

Physicochemical properties and standard representations

calculated sequence and structure

Reported properties

No separate physicochemical property was reported in the primary-literature identity record. PepDiana release values are shown as computed properties.

Computed properties

physchem-20260620

Molecular weight

5189.075 Da

Molecular formula

C230H381N83O53S

Theoretical pI

12

Net charge at pH 7

13.7551

GRAVY

-1.1841

Instability index

87.8523

Aromaticity

0.1136

Topological polar surface area

2309.54 Ų

cLogP

-23.5724

Hydrogen-bond donors

87

Hydrogen-bond acceptors

68

Rotatable bonds

187

Method: PepDiana sequence/structure descriptor pipeline

Tool: Biopython+RDKit · Biopython 1.85; RDKit 2024.09.6

Calculated: 2026-06-20T11:01:38.358971+00:00

Assumptions: ph=7; termini=free N-terminus and free C-terminus for simple linear peptides; stereochemistry=standard L-amino acids; smiles_length_limit=200

Sequence representations

representations-20260620

ProForma 2.0

validated simple linear

RKKRRQRRRGGGGITDFGIFIGLGGGGSRQIKIWFQNRRMKWKK

HELM 2.0

validated simple linear

PEPTIDE1{R.K.K.R.R.Q.R.R.R.G.G.G.G.I.T.D.F.G.I.F.I.G.L.G.G.G.G.S.R.Q.I.K.I.W.F.Q.N.R.R.M.K.W.K.K}$$$$V2.0

Canonical SMILES

validated

CCC(C)C(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)CCCNC(=N)N)C(C)CC)C(C)O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)C(C)CC)C(C)CC)C(C)CC

Isomeric SMILES

validated

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC

Paper-level observations

Experimental evidence grouped by activity

Unknown 36 records

PMC12470154

36 observations

Citation and release provenance

Cite this identity as PepDiana record PEPDIA-PLP-002456, release PepDiana-V1-20260620. Experimental observations retain their paper, mention, and activity-record identifiers.

Record updated: 2026-06-22T07:14:26.229247+00:00