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Peptide·map backed

ATLPC0023875

ATLPC0023875

MKISQVFIFVFLLMISVAWANEAYEEESNYLSERFDADVEEITPEFRGIRCPKSWKCKAFKQRVLKRLLAMLRQHAF

Compare in workbenchDownload releaseAPI JSON
  • Length
    77 aa
  • Monoisotopic mass
    9198.8 Da
  • Net charge @ pH 7.4
    2.10
  • Isoelectric point
    8.75
  • GRAVY
    -0.075
On this page
  • 01 Sequence & molecular identity
  • 02 Physicochemical profile
  • 03 Evidence landscape
  • 04 Product context
  • 05 Identity & reference map
  • 06 Data access & reproducibility
Coveragecounts only · not riskATLPC0023875
  • Measurements
    0
  • Endpoints
    0
  • Domains
    0/5
  • Products
    —
  • No matrix stability evidence
  • No clearance evidence
  • No immunogenicity context
  • 2 liability motifs
Jump to domain

Open the matching evidence section below

All evidence index
Exposure / Absorption
No evidence
Distribution / Barrier
No evidence
Metabolic & Proteolytic Stability
No evidence
Excretion / Persistence
No evidence
Toxicity / Safety
No evidence
01

Sequence & molecular identity

1 forms

Reviewed sequence, peptidoform forms, chemical representation, 3D references, and covalent topology used to interpret this peptide identity.

Sequence & peptidoform

·
Identity summarySpecific molecular form represented
Identity status
Specific molecular form represented
Residues
77
Peptidoform features
0
Documented molecular forms
1
Representations
4
Documented molecular forms1 form linked to this peptide identity
FormTopologyModificationsConnectionsRepresentationsMeasurements
ATLPF0026054———Notation only—
Residue view
Residue display
77 residues
M1K2I3S4Q5V6F7I8F9V10F11L12L13M14I15S16V17A18W19A20N21E22A23Y24E25E26E27S28N29Y30L31S32E33R34F35D36A37D38V39E40E41I42T43P44E45F46R47G48I49R50C51P52K53S54W55K56C57K58A59F60K61Q62R63V64L65K66R67L68L69A70M71L72R73Q74H75A76F77
Side-chain classNonpolarPolarBasic (+)Acidic (−)Modified

Soft tints mark standard side-chain classes for scanning. Primary emphasis is reserved for reported modifications, termini, secondary-structure tracks, and topology links.

Peptidoform features

Features are shown only when a reported notation or topology record supports them.

No terminal modification, residue-level marker, disulfide, staple, coordination, or other topology signal is currently available.

Structure & chemistry

·
Chemical representationSMILES available
2D structure·RDKit.js
rendering molecule…
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)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](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)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.

MKISQVFIFVFLLMISVAWANEAYEEESNYLSERFDADVEEITPEFRGIRCPKSWKCKAFKQRVLKRLLAMLRQHAF
HELM

Polymer notation for modified peptide representation when available.

MKISQVFIFVFLLMISVAWANEAYEEESNYLSERFDADVEEITPEFRGIRCPKSWKCKAFKQRVLKRLLAMLRQHAF
SMILES

Chemical graph string used for atom-level 2D depiction when available.

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)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](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
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 & modifications1 signal
FeaturePositionsInterpretationLink
Form-level topologyATLPF0026054Open-chain form. Residue-level connection endpoints are shown separately when available.Not linked
02

Physicochemical profile

10 descriptors

Computed sequence-derived descriptors and any measured physicochemical evidence such as lipophilicity. Computed values are interpretation aids, not experimental ADMET measurements.

·
Core descriptors77 aa · pI 8.8 · GRAVY -0.07
Length
77 aa
Monoisotopic mass
9198.75 Da
Average mass
9204.81 Da
Net charge at pH 7.4
2.10
Estimated pI
8.75
GRAVY
-0.075
KD-positive residues
46.8%
Aromatic residues
14.3%
Developability interpretation
Ionization context
pH 7.4 separated from pI
Hydrophobicity balance
Leans hydrophilic
Amphipathic moment (μH)
0.51
Computation boundary
Standard-sequence only
Charge & residue composition
pH charge context

Modeled net charge across common formulation and assay pH checkpoints.

pH 2
13.89
pH 5
4.05
pH 6
2.87
pH 7.4
1.90
pH 9
-0.47
pH 12
-10.06
Residue-class composition

Grouped composition is often more interpretable than a long amino-acid list.

Acidic (D,E)
10 · 13.0%
Basic (K,R,H)
13 · 16.9%
Polar uncharged (N,Q,S,T)
11 · 14.3%
Hydrophobic aliphatic (A,V,I,L,M)
27 · 35.1%
Aromatic (F,W,Y)
11 · 14.3%
Conformational / sulfur (G,P,C)
5 · 6.5%
Top residues
E810.4%A79.1%L79.1%F79.1%R67.8%K67.8%I56.5%S56.5%
Hydropathy & amphipathic windows
Hydropathy windows

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

Most hydrophobic window
6-12
VFIFVFL
GRAVY 3.586
Most hydrophilic window
24-30
YEEESNY
GRAVY -2.486
71 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.

12 aa window
63-74
RVLKRLLAMLRQ
μH 2.15 · charge 4.0
12 aa window
62-73
QRVLKRLLAMLR
μH 2.00 · charge 4.0
15 aa window
62-76
QRVLKRLLAMLRQHA
μH 1.66 · charge 4.1
12 aa window
38-49
DVEEITPEFRGI
μH 1.65 · charge -3.0
12 aa window
39-50
VEEITPEFRGIR
μH 1.64 · charge -1.0
Sequence-liability cues
Sequence-liability notes

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

Oxidation-sensitive residues
M, W, C · pos 1, 14, 19, 51, 55, 57 +1
Met, Trp, and Cys residues can merit formulation review for oxidation or covalent-state sensitivity.
Cys covalent complexity
C · pos 51, 57
Multiple cysteines can indicate disulfide or free-thiol interpretation requirements.
Alpha-helix amphipathic projection
Helical wheel · Edmundson projection
μH = 0.51100°/residue · 77 aa
μH1: M (Met) · Hydrophobic · K-D 1.9M12: K (Lys) · Basic + · K-D -3.9K3: I (Ile) · Hydrophobic · K-D 4.5I4: S (Ser) · Polar · K-D -0.8S5: Q (Gln) · Polar · K-D -3.5Q56: V (Val) · Hydrophobic · K-D 4.2V7: F (Phe) · Aromatic · K-D 2.8F8: I (Ile) · Hydrophobic · K-D 4.5I9: F (Phe) · Aromatic · K-D 2.8F10: V (Val) · Hydrophobic · K-D 4.2V1011: F (Phe) · Aromatic · K-D 2.8F12: L (Leu) · Hydrophobic · K-D 3.8L13: L (Leu) · Hydrophobic · K-D 3.8L14: M (Met) · Hydrophobic · K-D 1.9M15: I (Ile) · Hydrophobic · K-D 4.5I1516: S (Ser) · Polar · K-D -0.8S17: V (Val) · Hydrophobic · K-D 4.2V18: A (Ala) · Hydrophobic · K-D 1.8A19: W (Trp) · Aromatic · K-D -0.9W20: A (Ala) · Hydrophobic · K-D 1.8A2021: N (Asn) · Polar · K-D -3.5N22: E (Glu) · Acidic − · K-D -3.5E23: A (Ala) · Hydrophobic · K-D 1.8A24: Y (Tyr) · Aromatic · K-D -1.3Y25: E (Glu) · Acidic − · K-D -3.5E2526: E (Glu) · Acidic − · K-D -3.5E27: E (Glu) · Acidic − · K-D -3.5E28: S (Ser) · Polar · K-D -0.8S29: N (Asn) · Polar · K-D -3.5N30: Y (Tyr) · Aromatic · K-D -1.3Y3031: L (Leu) · Hydrophobic · K-D 3.8L32: S (Ser) · Polar · K-D -0.8S33: E (Glu) · Acidic − · K-D -3.5E34: R (Arg) · Basic + · K-D -4.5R35: F (Phe) · Aromatic · K-D 2.8F3536: D (Asp) · Acidic − · K-D -3.5D37: A (Ala) · Hydrophobic · K-D 1.8A38: D (Asp) · Acidic − · K-D -3.5D39: V (Val) · Hydrophobic · K-D 4.2V40: E (Glu) · Acidic − · K-D -3.5E4041: E (Glu) · Acidic − · K-D -3.5E42: I (Ile) · Hydrophobic · K-D 4.5I43: T (Thr) · Polar · K-D -0.7T44: P (Pro) · Special · K-D -1.6P45: E (Glu) · Acidic − · K-D -3.5E4546: F (Phe) · Aromatic · K-D 2.8F47: R (Arg) · Basic + · K-D -4.5R48: G (Gly) · Special · K-D -0.4G49: I (Ile) · Hydrophobic · K-D 4.5I50: R (Arg) · Basic + · K-D -4.5R5051: C (Cys) · Special · K-D 2.5C52: P (Pro) · Special · K-D -1.6P53: K (Lys) · Basic + · K-D -3.9K54: S (Ser) · Polar · K-D -0.8S55: W (Trp) · Aromatic · K-D -0.9W5556: K (Lys) · Basic + · K-D -3.9K57: C (Cys) · Special · K-D 2.5C58: K (Lys) · Basic + · K-D -3.9K59: A (Ala) · Hydrophobic · K-D 1.8A60: F (Phe) · Aromatic · K-D 2.8F6061: K (Lys) · Basic + · K-D -3.9K62: Q (Gln) · Polar · K-D -3.5Q63: R (Arg) · Basic + · K-D -4.5R64: V (Val) · Hydrophobic · K-D 4.2V65: L (Leu) · Hydrophobic · K-D 3.8L6566: K (Lys) · Basic + · K-D -3.9K67: R (Arg) · Basic + · K-D -4.5R68: L (Leu) · Hydrophobic · K-D 3.8L69: L (Leu) · Hydrophobic · K-D 3.8L70: A (Ala) · Hydrophobic · K-D 1.8A7071: M (Met) · Hydrophobic · K-D 1.9M72: L (Leu) · Hydrophobic · K-D 3.8L73: R (Arg) · Basic + · K-D -4.5R74: Q (Gln) · Polar · K-D -3.5Q75: H (His) · Basic + · K-D -3.2H7576: A (Ala) · Hydrophobic · K-D 1.8A77: F (Phe) · Aromatic · K-D 2.8F77
Hydrophobic moment0.51
Mean K-D hydropathy-0.08
Approx. net charge+2
Projection angle100° / residue
The pale sector marks the direction of the hydrophobic face inferred from μH. This is a projection assumption, not a measured fold.
HydrophobicAromaticPolarBasic +Acidic −Specialhydrophobic faceμH arrow → hydrophobic face

The projection assumes an α-helix conformation; a long μH arrow indicates an amphipathic helix, common in antimicrobial peptides.Sequence > 30 aa — only termini and every fifth position are numbered because later turns share earlier wheel angles.

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.

Computed developability descriptors

Deterministic descriptors computed from the reviewed sequence or chemical structure (RDKit), each anchored to a literature method. These are computed estimates for developability interpretation — not experimental measurements — and are validated against independent reference implementations.

Sequence-derived

Computed from the standard parent-residue sequence; protein-origin metrics defined at any length.

Aliphatic index
88.70
Instability index
39.9

At or below 40 — predicted stable in vitro.

Boman index
1.57 kcal/mol
Molar extinction coefficient (280 nm)
13,980 M⁻¹·cm⁻¹

A280 (1 g/L) ≈ 1.52 · 14,105 M⁻¹·cm⁻¹ with 1 disulfide

Structure-derived (developability)

Computed from the representative peptidoform's chemical structure. Rule-of-5 / beyond-Ro5 framing per Lipinski/Doak.

Topological polar surface area
3595.4 Ų
Computed logP (Crippen)
-22.90

Computed logP — distinct from the measured logD endpoint.

Hydrogen-bond donors
128
Hydrogen-bond acceptors
119
Rotatable bonds
310
Rule-of-5 / beyond-Ro5 flags
Beyond bRo5

3 Ro5 violations · MW 9,204.87 Da

03

Evidence landscape

Cross-domain evidence distribution and measurement-level detail. No assay-level evidence is available for this peptide in the current release.

No endpoint-level measurements returned

No ADMET endpoint evidence is attached to this peptide yet.

/evidence/drilldown
04

Product context

Product-level route, label, and clinical context that frames peptide-level evidence. A peptide-level summary only; product pages keep the full drilldown.

No product association in this release

This peptide is currently interpreted from sequence, structure, physicochemical, and ADMET evidence only.

Browse products
05

Identity & reference map

Reference-level support for checking reported names, sequence notation, and peptide identity agreement.

No identity references available

No reported identity references are available for this peptide in the current release.

06

Data access & reproducibility

Stable record access, analysis-ready files, and scripted retrieval for reproducing this profile view.

·
Record scopePublic release
ATL peptide ID
ATLPC0023875
Identity type
canonical sequence
ADMET endpoints
0
Evidence records
0
Reference groups
1
Release view
Public release
Data access

Structured peptide profile

JSON

Peptide-specific profile used by this page, including identity and evidence context.

Open JSON

Peptide catalogue

TSV

Complete frozen peptide table. Filter the ATL peptide ID column locally to isolate this record.

Download catalogue

Measurement catalogue

TSV

Complete frozen measurement table. Join or filter by ATL peptide ID for peptide-level analysis.

Download measurements
Programmatic access

The request returns the same structured peptide record used by this profile. The tabular downloads are complete frozen release tables and should be filtered locally by ATL peptide ID.

Open endpoint
GET /api/v1/peptides/ATLPC0023875
open
curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0023875' \
  -H 'accept: application/json' \
  -H 'X-Visibility: public_release'
ADMETatlas
peptide evidence atlas

ADMETatlas is an open, curated atlas of ADMET evidence for therapeutic peptides — spanning developability, membrane permeability and blood–brain-barrier transport, immune-recognition context, and approved-product context. Every measurement stays linked to its original source, with stable identifiers and transparent curation, so results can be traced, cited, and reproduced.

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