Resolved chemical identity
N-TRIMETHYLLYSINE
Identity / evidence review pending
complete_deposited_InChIKey
0 assay / association records0 preparations0 research-ligand PDB entries
No deposited PWWP research-ligand geometry is classified for this preparation in the selected release. Deposition of a buffer/ion is not binding evidence.
Clinical / development status: Not independently curated. A chemical probe classification does not imply medicinal approval.Identity is separate from preparation
Chemical identity
- Stable identity
- INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O
- Full InChIKey
- MXNRLFUSFKVQSK-QMMMGPOBSA-O
- Source identity status
- complete deposited InChIKey
- Deposited CCD identifiers
- M3L
- External identifiers
- See deposited identity and source links
- Reference formula
- C9H21N2O2+
- Calculated molecular weight
- 189.279
- Calculated descriptors
- cLogP 0.2748 · TPSA 63.32 Ų · HBD 2 · HBA 2RDKit 2025.09.3; calculations for this source identity, not experimental measurements.
- Depiction validation
- verified smiles full inchikey match
SMILES, InChI & complete identity record
- Isomeric SMILES
- C[N+](C)(C)CCCC[C@@H](C(=O)O)N
- InChI
- Not curated
{
"aliases": [
"N-TRIMETHYLLYSINE"
],
"ccd_ids": [
"M3L"
],
"ccd_names": "[\"N-TRIMETHYLLYSINE\"]",
"ccd_types": "[\"L-PEPTIDE LINKING\"]",
"chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
"connectivity_block": "MXNRLFUSFKVQSK",
"curated_source_sha256": "f0456a25e0e7b3c5f8f4d59bbb3e48be6247a7a297fee9107530aa68e41b9b88",
"curation_version": "frozen-v1.2",
"external_identifiers": {},
"formal_charge_by_ccd": "{\"M3L\": 1}",
"formulae": "[\"C9 H21 N2 O2\"]",
"geometry_note": "Chemical identity of one peptide-linking residue; not the entire peptide. Ideal CCD geometry is not a bound pose.",
"identity_status": "complete_deposited_InChIKey",
"inchikey": "MXNRLFUSFKVQSK-QMMMGPOBSA-O",
"inventory_origin": "v1_1_supplemental_polymer_monomer",
"isomeric_smiles": "C[N+](C)(C)CCCC[C@@H](C(=O)O)N",
"primary_name": "N-TRIMETHYLLYSINE",
"retrieval_date": "2026-10-24",
"smiles_stereo_by_ccd": "{\"M3L\": \"C[N+](C)(C)CCCC[C@@H](C(=O)O)N\"}",
"source_metadata_sha256": "{}",
"source_urls": [
"https://www.rcsb.org/ligand/M3L"
]
}Measured target and original context
Bioactivity & experimental observations
Each row is one source-specific observation. Repeated measurements of this compound are not independent compounds. Direct binding, functional displacement and cellular outcomes retain their distinct endpoints.
| Preparation | Tested target & construct | Method / endpoint | Original observation | Conditions & uncertainty | Source & verification |
|---|---|---|---|---|---|
| No observations match these filters. Missing curation is not evidence of biological inactivity. | |||||
Exact deposited instances
Experimental structures
Native-core and broader Pfam proximity are distinguished from contacts elsewhere in a protein. Each action opens the actual deposited ligand instance. Geometric proximity does not supply a measured binding affinity.
| Entry / ligand | Native domain & protein chain | Geometric evidence | Minimum distance | Inspect |
|---|---|---|---|---|
| 2X4W · M3LPDB:2X4W:LIG:B:M3L:36:15 | BRPF1 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8067 Å Pfam: 2.8067 Å | View deposited instance |
| 2X4X · M3LPDB:2X4X:LIG:B:M3L:36:15 | BRPF1 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8831 Å Pfam: 2.8831 Å | View deposited instance |
| 2X4X · M3LPDB:2X4X:LIG:D:M3L:36:15 | BRPF1 PWWP1Protein label chain C · ligand label chain D | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.9242 Å Pfam: 2.9242 Å | View deposited instance |
| 2X4X · M3LPDB:2X4X:LIG:F:M3L:36:15 | BRPF1 PWWP1Protein label chain E · ligand label chain F | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.917 Å Pfam: 2.917 Å | View deposited instance |
| 2X4X · M3LPDB:2X4X:LIG:H:M3L:36:15 | BRPF1 PWWP1Protein label chain G · ligand label chain H | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.9307 Å Pfam: 2.9307 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:B:M3L:36:15 | BRPF1 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.7421 Å Pfam: 2.7421 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:D:M3L:36:15 | BRPF1 PWWP1Protein label chain C · ligand label chain D | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.9211 Å Pfam: 2.9211 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:F:M3L:36:15 | BRPF1 PWWP1Protein label chain E · ligand label chain F | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8563 Å Pfam: 2.8563 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:H:M3L:36:15 | BRPF1 PWWP1Protein label chain G · ligand label chain H | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8674 Å Pfam: 2.8674 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:J:M3L:36:15 | BRPF1 PWWP1Protein label chain I · ligand label chain J | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.7424 Å Pfam: 2.7424 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:L:M3L:36:15 | BRPF1 PWWP1Protein label chain K · ligand label chain L | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8287 Å Pfam: 2.8287 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:N:M3L:36:15 | BRPF1 PWWP1Protein label chain M · ligand label chain N | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8368 Å Pfam: 2.8368 Å | View deposited instance |
| 2X4Y · M3LPDB:2X4Y:LIG:P:M3L:36:15 | BRPF1 PWWP1Protein label chain O · ligand label chain P | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.7572 Å Pfam: 2.7572 Å | View deposited instance |
| 3MO8 · M3LPDB:3MO8:LIG:B:M3L:7:7 | BRPF1 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8003 Å Pfam: 2.8003 Å | View deposited instance |
| 3QBY · M3LPDB:3QBY:LIG:D:M3L:20:6 | HDGFL2 PWWP1Protein label chain A · ligand label chain D | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 3.701 Å Pfam: 3.701 Å | View deposited instance |
| 3QBY · M3LPDB:3QBY:LIG:D:M3L:20:6 | HDGFL2 PWWP1Protein label chain B · ligand label chain D | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.6777 Å Pfam: 2.6777 Å | View deposited instance |
| 3QJ6 · M3LPDB:3QJ6:LIG:B:M3L:79:7 | HDGFL2 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.7399 Å Pfam: 2.7399 Å | View deposited instance |
| 4N4H · M3LPDB:4N4H:LIG:B:M3L:36:16 | Zmynd11 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.6172 Å Pfam: 2.6172 Å | View deposited instance |
| 4N4I · M3LPDB:4N4I:LIG:B:M3L:36:18 | Zmynd11 PWWP1Protein label chain A · ligand label chain B | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.6782 Å Pfam: 2.6782 Å | View deposited instance |
| 5CIU · M3LPDB:5CIU:LIG:C:M3L:36:9 | DNMT3B PWWP1Protein label chain B · ligand label chain C | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.8941 Å Pfam: 2.8941 Å | View deposited instance |
| 5CIU · M3LPDB:5CIU:LIG:D:M3L:36:9 | DNMT3B PWWP1Protein label chain A · ligand label chain D | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.9927 Å Pfam: 2.9927 Å | View deposited instance |
| 6IIS · M3LPDB:6IIS:LIG:E:M3L:36:4 | HDGFL3 PWWP1Protein label chain A · ligand label chain E | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 2.6827 Å Pfam: 2.6827 Å | View deposited instance |
| 6IIS · M3LPDB:6IIS:LIG:F:M3L:36:4 | HDGFL3 PWWP1Protein label chain B · ligand label chain F | native annotation core contactNoneunclassified biological component · context unresolved. Deposited geometry is not solution affinity. | Core: 3.0698 Å Pfam: 3.0698 Å | View deposited instance |
Preparations, identities and controls remain separate
Experimental context
No measured preparation is linked to this deposited identity in the curated snapshot.
Provenance and reproducibility
Sources & downloads
Snapshot 2026-10-26 · phase5-1.0.0 · original measurements, operators, constructs and uncertainty are retained in the exports.