Resolved chemical identity

2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL

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:LENZDBCJOHFCAS-UHFFFAOYSA-O
Full InChIKey: LENZDBCJOHFCAS-UHFFFAOYSA-O
Source identity status: complete deposited InChIKey
Deposited CCD identifiers: TRS
External identifiers: See deposited identity and source links

Reference formula: C4H12NO3+
Calculated molecular weight: 122.144
Calculated descriptors: cLogP -3.056 · TPSA 88.33 Å² · HBD 4 · HBA 3RDKit 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(C(CO)(CO)[NH3+])O
InChI: Not curated

{
  "aliases": [
    "2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL"
  ],
  "ccd_ids": [
    "TRS"
  ],
  "ccd_names": "[\"2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:LENZDBCJOHFCAS-UHFFFAOYSA-O",
  "connectivity_block": "LENZDBCJOHFCAS",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"TRS\": 1}",
  "formulae": "[\"C4 H12 N O3\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "LENZDBCJOHFCAS-UHFFFAOYSA-O",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "C(C(CO)(CO)[NH3+])O",
  "primary_name": "2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"TRS\": \"C(C(CO)(CO)[NH3+])O\"}",
  "source_metadata_sha256": "{\"TRS\": \"327ddc255cff340ae4170bb33e506c7589d5b909c85c917fe7446fb94cb82c02\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/TRS"
  ]
}

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
6IIQ · TRSPDB:6IIQ:LIG:I:TRS:102:.	HDGFL3 PWWP1Protein label chain A · ligand label chain I	native annotation core contactbuffer/additivebuffer component · other component. Deposited geometry is not solution affinity.	Core: 3.5882 Å Pfam: 3.5882 Å	View deposited instance
6IIQ · TRSPDB:6IIQ:LIG:K:TRS:102:.	HDGFL3 PWWP1Protein label chain B · ligand label chain K	native annotation core contactbuffer/additivebuffer component · other component. Deposited geometry is not solution affinity.	Core: 3.5897 Å Pfam: 3.5897 Å	View deposited instance
6IIQ · TRSPDB:6IIQ:LIG:M:TRS:102:.	HDGFL3 PWWP1Protein label chain C · ligand label chain M	native annotation core contactbuffer/additivebuffer component · other component. Deposited geometry is not solution affinity.	Core: 3.31 Å Pfam: 3.31 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/TRS

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.