Resolved chemical identity

S-ADENOSYLMETHIONINE

Other PDB component · not a studied ligand

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:MEFKEPWMEQBLKI-FCKMPRQPSA-N
Full InChIKey: MEFKEPWMEQBLKI-FCKMPRQPSA-N
Source identity status: complete deposited InChIKey
Deposited CCD identifiers: SAM
External identifiers: See deposited identity and source links

Reference formula: C15H22N6O5S
Calculated molecular weight: 398.445
Calculated descriptors: cLogP -3.2569 · TPSA 185.46 Å² · HBD 4 · HBA 11RDKit 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[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI: Not curated

{
  "aliases": [
    "S-ADENOSYLMETHIONINE"
  ],
  "ccd_ids": [
    "SAM"
  ],
  "ccd_names": "[\"S-ADENOSYLMETHIONINE\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
  "connectivity_block": "MEFKEPWMEQBLKI",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"SAM\": 0}",
  "formulae": "[\"C15 H22 N6 O5 S\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "MEFKEPWMEQBLKI-FCKMPRQPSA-N",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O",
  "primary_name": "S-ADENOSYLMETHIONINE",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"SAM\": \"C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O\"}",
  "source_metadata_sha256": "{\"SAM\": \"2c0fa864f199e28ec7061d18f1a85ea23243761a4ec7ee63296d4d6aab50c02b\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/SAM"
  ]
}

Measured target and original context

Bioactivity & experimental observations

Download assay CSV

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
7CRO · SAMPDB:7CRO:LIG:L:SAM:1401:.	NSD2 PWWP2Protein label chain K · ligand label chain L	noncore contact in multidomain chainbiological cofactornon pwwp biological cofactor · other component. Deposited geometry is not solution affinity.	Core: — Å Pfam: — Å	View deposited instance
7CRP · SAMPDB:7CRP:LIG:L:SAM:1501:.	NSD3 PWWP2Protein label chain K · ligand label chain L	noncore contact in multidomain chainbiological cofactornon pwwp biological cofactor · other component. Deposited geometry is not solution affinity.	Core: — Å Pfam: — Å	View deposited instance
7CRQ · SAMPDB:7CRQ:LIG:M:SAM:1501:.	NSD3 PWWP2Protein label chain K · ligand label chain M	noncore contact in multidomain chainbiological cofactornon pwwp biological cofactor · other component. Deposited geometry is not solution affinity.	Core: — Å Pfam: — Å	View deposited instance
7CRQ · SAMPDB:7CRQ:LIG:T:SAM:1504:.	NSD3 PWWP2Protein label chain L · ligand label chain T	noncore contact in multidomain chainbiological cofactornon pwwp biological cofactor · other component. Deposited geometry is not solution affinity.	Core: — Å Pfam: — Å	View deposited instance
7CRR · SAMPDB:7CRR:LIG:L:SAM:1501:.	NSD3 PWWP2Protein label chain K · ligand label chain L	noncore contact in multidomain chainbiological cofactornon pwwp biological cofactor · other component. Deposited geometry is not solution affinity.	Core: — Å Pfam: — 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

https://www.rcsb.org/ligand/SAM

Download complete evidence JSON Curation methods & source receipts

Snapshot 2026-10-26 · phase5-1.0.0 · original measurements, operators, constructs and uncertainty are retained in the exports.