ATLPC0035611

ATLPC0035611 — ADMETatlas

Structure and chemistry interpretation

Chemical representationSMILES available

2D structure·RDKit.js

rendering molecule…

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C

Representation class

How the current release can interpret this identity chemically.

map backed

Parent-residue sequence

Residue string used for positional interpretation when available.

GWPAYPGPNGIRSSVCQTKLGCGKKNLATKGVCKAFCLGRKRFWQKCGKNGSSGKGSRICNPVLAHAVEKAGKGLIKVTDMAVAAIVKYAGKK

HELM

Polymer notation for modified peptide representation when available.

GWPAYPGPNGIRSSVCQTKLGCGKKNLATKGVCKAFCLGRKRFWQKCGKNGSSGKGSRICNPVLAHAVEKAGKGLIKVTDMAVAAIVKYAGKK

3D structure referencesnone attached

3D structure not available

A 3D structure isn't available for this peptide in the current release. Chemistry and topology fields remain available when represented by sequence, HELM, or SMILES.

Covalent topology & modificationsnone

No explicit topology annotation

No disulfide, staple, coordination, other cross-link, or residue-level modification annotation is attached to this peptide in the current release.

Interpretation: A 2D graph describes connectivity, not conformation. A 3D reference describes one coordinate model or solved state, not the full ensemble. ADMET interpretation should account for peptidoform, topology, and assay context together.

Computed descriptors

Core descriptors93 aa · pI 10.9 · GRAVY -0.25

Length: 93 aa
Monoisotopic mass: 9745.20 Da
Average mass: 9751.61 Da
Net charge at pH 7.4: 17.10
Estimated pI: 10.88
GRAVY: -0.251
KD-positive residues: 37.6%
Aromatic residues: 6.5%

Developability interpretation

Ionization context: pH 7.4 separated from pI
Hydrophobicity balance: Leans hydrophilic
Amphipathic moment (μH): 0.46
Computation boundary: Standard-sequence only

Charge & residue composition

pH charge context

Modeled net charge across common formulation and assay pH checkpoints.

pH 2

20.96

pH 5

18.19

pH 6

17.76

pH 7.4

Hydropathy & amphipathic windows

Hydropathy windows

Seven-residue sliding windows expose local patches hidden by whole-sequence GRAVY.

Most hydrophobic window

81-87

MAVAAIV

GRAVY 2.886

Most hydrophilic window

40-46

RKRFWQK

GRAVY -2.629

87 local hydropathy windows scanned. A local patch is context for solubility, adsorption, and membrane interaction review, not a standalone endpoint.

Amphipathic-window scan

Top alpha-helix hydrophobic-moment windows across 12, 15, 18, and 21 residues.

Sequence-liability cues

Sequence-liability notes

Motifs are review prompts for formulation or CMC interpretation; they are not degradation predictions.

Asn deamidation motif

NG · pos 9, 50

Asn followed by small/polar residues is a known sequence context to review for deamidation susceptibility.

Oxidation-sensitive residues

M, W, C · pos 2, 16, 22, 33, 37, 44 +3

Met, Trp, and Cys residues can merit formulation review for oxidation or covalent-state sensitivity.

Cys covalent complexity

C · pos 16, 22, 33, 37, 47, 60

Multiple cysteines can indicate disulfide or free-thiol interpretation requirements.

Alpha-helix amphipathic projection

Helical wheel · Edmundson projection

μ_H = 0.46100°/residue · 93 aa

Method notes

Charge model: side-chain pKa D 3.9, E 4.1, C 8.5, Y 10.1, H 6.5, K 10.8, R 12.5 with EMBOSS termini. pI is estimated by binary search on modeled net charge. Hydropathy uses Kyte-Doolittle values; hydrophobic moment follows the Eisenberg alpha-helix vector-sum convention. When the basis is a parent-residue sequence, modified chemistry is intentionally not inferred.

Data access & reproducibility

Record scopePublic release

ATL peptide ID: ATLPC0035611
Identity type: canonical sequence
ADMET endpoints: 0
Measurements: 0
Reference groups: 1
Release view: Public release

Analysis-ready files

Peptide record

TSV

Identity, sequence, profile-level fields, and current release view metadata.

Download record

Programmatic access

The request returns the same structured peptide record used by this profile. Measurement downloads use the same peptide identifier and public release visibility.

Open endpoint

GET /api/v1/peptides/ATLPC0035611

open

curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0035611' \
  -H 'accept: application/json' \
  -H 'X-Visibility: public_release'

Interpretation: Use these files as the reproducible data package for this peptide profile. Cross-peptide comparison still depends on compatible endpoints, assays, species or model systems, route, dose, matrix, and evidence layer.

ATLPC0035611

Peptide developability profile

1. Sequence & peptidoform

Sequence interpretation

2. Structure & chemistry

Structure and chemistry interpretation

3. Physicochemical profile

Computed descriptors

Computed developability descriptors

4. Product context

Translational product context

5. Evidence landscape

Evidence landscape and measurement index

6. Identity & reference map

Identity & reference map

7. Data access & reproducibility

Data access & reproducibility

Peptide record

Evidence table

Structured record