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PEPDIA-INT-072957

Gold

Angiotensin I-converting enzyme inhibitor II

Quality

Source DBs

Activities

Source refs

Literature

Patents

Integrated record

Sequence and molecular profile

MRWRD

Indexed sequence5 aa

1MRWRD

Length

Molecular weight

762.89 Da

Formula

C32H50N12O8S

Structure type

Linear

Synthesis

Chirality

Family

Gene

Residue composition

Physicochemical profile

Hydrophobic2

Membrane affinity proxy

Polar0

Solubility proxy

Charged3

Net charge proxy +1

Aromatic1

Binding interaction proxy

Versioned scientific descriptors

Physicochemical properties and standard representations

calculated sequence and structure

Reported properties

Legacy compatibility fields are materialized from the versioned PepDiana computed release; no separate source-reported property is available.

Computed properties

physchem-20260620

Molecular weight

762.88 Da

Molecular formula

C32H50N12O8S

Theoretical pI

9.35

Net charge at pH 7

0.5046

GRAVY

-2.3

Instability index

107.48

Aromaticity

0.2

Topological polar surface area

356.61 Å²

cLogP

-2.1842

Hydrogen-bond donors

Hydrogen-bond acceptors

Rotatable bonds

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 · RDKit 2024.09.6

ProForma 2.0

validated simple linear

MRWRD

HELM 2.0

validated simple linear

PEPTIDE1{M.R.W.R.D}$$$$V2.0

Canonical SMILES

validated

CSCCC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

validated

CSCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

Follow-up research

External analysis tools

Run BLASTPSearch similar protein or peptide sequences at NCBI.Search UniProtLook for related UniProtKB entries using the sequence.Search PubMedFind literature context for this peptide record.Search PubChemOpen chemistry search with the canonical SMILES string.

Links open third-party resources with the current PepDiana sequence, record name, or chemistry notation as the initial query.

Research workflow

Citation and local history

BibTeX

@misc{PEPDIA-INT-072957,
  title = {Angiotensin I-converting enzyme inhibitor II},
  author = {{PepDiana Consortium}},
  year = {2026},
  howpublished = {PepDiana Multifunctional Peptide Database},
  url = {http://127.0.0.1:3004/peptides/PEPDIA-INT-072957},
  note = {Accessed from local PepDiana development build}
}

APA-style note

Angiotensin I-converting enzyme inhibitor II. (2026). PepDiana record PEPDIA-INT-072957. PepDiana Multifunctional Peptide Database. http://127.0.0.1:3004/peptides/PEPDIA-INT-072957

This record is saved to local recent-view history so it can reappear on the peptide browser page.

Integrated source-database annotations

Biological activity (10 records)

Stable record	Activity	Subtype	Value	Target	Assay method	Source
CTPDB_P072957_ACT_ahtpdb_0000	Metabolic/Cardiovascular	ACE Inhibitor	2.1 µM	Unknown	Cushman and Cheung (1971)	1922ahtpdb / linked
CTPDB_P072957_ACT_ahtpdb_0001	Metabolic/Cardiovascular	ACE Inhibitor	2.09 µM	Unknown	Not reported by source	2315ahtpdb / linked
CTPDB_P072957_ACT_ahtpdb_0002	Metabolic/Cardiovascular	ACE Inhibitor	2.1 µM	Unknown	Cushman and Cheung (1971), Maruyama and Suzuki	2573ahtpdb / linked
CTPDB_P072957_ACT_ahtpdb_0003	Metabolic/Cardiovascular	ACE Inhibitor	2.1 µM	Unknown	Not reported by source	5331ahtpdb / linked
CTPDB_P072957_ACT_ahtpdb_0004	Metabolic/Cardiovascular	ACE Inhibitor	2.1 µM	Unknown	Cushman and Cheung (1971)	6228ahtpdb / linked
CTPDB_P072957_ACT_plantpepdb_0005	Enzyme Inhibitor	General Enzyme Inhibitor	Not available in the current structured import	Unknown	Not reported by source	PPepDB_2983plantpepdb / linked
CTPDB_P072957_ACT_plantpepdb_0006	Antioxidant	-	Not available in the current structured import	Unknown	Not reported by source	PPepDB_2983plantpepdb / linked
CTPDB_P072957_ACT_plantpepdb_0007	Metabolic/Cardiovascular	Antihypertensive	Not available for this observation	Unknown	Not reported by source	PPepDB_2983plantpepdb / linked
CTPDB_P072957_ACT_plantpepdb_0008	Metabolic/Cardiovascular	ACE Inhibitor	Not available for this observation	Unknown	Not reported by source	PPepDB_2983plantpepdb / linked
CTPDB_P072957_ACT_satpdb_0009	Metabolic/Cardiovascular	Antihypertensive	Not available for this observation	Unknown	Not reported by source	satpdb13657satpdb / linked

Sequence-linked cross-layer evidence

Linked primary-literature evidence

Records

Papers

Positive

Negative

Primary identities

These observations were collected directly from primary literature and linked by identical normalized sequence. They remain a separate evidence layer and do not overwrite Integrated source-database annotations.

View PEPDIA-PLP-003898 View all experimental records

Provenance

Source database records (7)

ahtpdb

2315

Raw sequence

MRWRD

ahtpdb

2573

Raw sequence

MRWRD

ahtpdb

1922

Raw sequence

MRWRD

ahtpdb

6228

Raw sequence

MRWRD

ahtpdb

5331

Raw sequence

MRWRD

plantpepdb

PPepDB_2983

Raw sequence

MRWRD

satpdb

satpdb13657

Raw sequence

MRWRD

Citation trail

Literature (8 records)

A new QSAR model, for angiotensin I-converting enzyme inhibitory oligopeptides.

Sagardia I1, Roa-Ureta RH, Bald C.

Food Chem. 2013 Feb 15;136(3-4):1370-6.2013PMID 23194537

ISOLATION AND CHARACTERIZATION OF PEPTIDES WITH ANTIHYPERTENSIVE ACTIVITY IN FOODSTUFFS.

Puchalska P1, Alegre ML, López MC.

Crit Rev Food Sci Nutr. 2013 Sep 2.2013PMID 24915368

Vegetable foods: A cheap source of proteins and peptides with antihypertensive, antioxidant, and other less occurrence bioactivities.

M C García, P Puchalska, C Esteve, M L Marina

Talanta 03/2013; 106C:328-349.2013PMID 23598136

Isolation and Antihypertensive Effect of Angiotensin I-Converting Enzyme (ACE) Inhibitory Peptides from Spinach Rubisco

Yang, Y. et al.,

Isolation and Antihypertensive Effect of Angiotensin I-Converting Enzyme (ACE) Inhibitory Peptides from Spinach Rubisco2003PMID 12903942

Integration of QSAR modelling and QM/MM analysis to investigate functional food peptides with antihypertensive activity

Jin Tan et al.

Molecular Simulation Volume 39, Issue 12, 20132013

Audit surface

Raw annotations and release metadata

Integrated record last updated: 2026-04-15T00:59:11.113046+00:00

Modification summary

No structured modification annotations are available for this record.

Source metadata

[
  {
    "source_db": "ahtpdb",
    "organism_name": "Unknown"
  },
  {
    "source_db": "plantpepdb",
    "organism_name": "Unknown"
  },
  {
    "source_db": "satpdb",
    "organism_name": "Unknown"
  }
]

Structure metadata

{
  "source_db": "satpdb",
  "dssp_states": "CGGGC"
}