[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol

Deposited research ligand · no curated assay

complete_deposited_InChIKey

0 assay / association records0 preparations1 research-ligand PDB entries

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:LZXLHLSTUPFULX-UHFFFAOYSA-N
Full InChIKey: LZXLHLSTUPFULX-UHFFFAOYSA-N
Source identity status: complete deposited InChIKey
Deposited CCD identifiers: A1A33
External identifiers: See deposited identity and source links

Reference formula: Not curated
Calculated molecular weight
Calculated descriptors: Not calculated
Depiction validation: source smiles inchikey disagreement no depiction

SMILES, InChI & complete identity record

Isomeric SMILES: CC(C)N1CCC[C@H](C1)CO
InChI: Not curated

{
  "aliases": [
    "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol"
  ],
  "ccd_ids": [
    "A1A33"
  ],
  "ccd_names": "[\"[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
  "connectivity_block": "LZXLHLSTUPFULX",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"A1A33\": 0}",
  "formulae": "[\"C9 H19 N O\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "LZXLHLSTUPFULX-UHFFFAOYSA-N",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "CC(C)N1CCC[C@H](C1)CO",
  "primary_name": "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"A1A33\": \"CC(C)N1CCC[C@H](C1)CO\"}",
  "source_metadata_sha256": "{\"A1A33\": \"04fce4aaaa056e541ba471a86a074d9573cb7fd93beabdff1fa7ac8e8900a501\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/A1A33"
  ]
}

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
7HGV · A1A33PDB:7HGV:LIG:G:A1A33:104:.	HDGFL2 PWWP1Protein label chain A · ligand label chain G	native annotation core contactexperimentally deposited fragmentscreened fragment structure · research ligand. Deposited geometry is not solution affinity.	Core: 2.844 Å Pfam: 2.844 Å	View deposited instance
7HGV · A1A33PDB:7HGV:LIG:K:A1A33:103:.	HDGFL2 PWWP1Protein label chain A · ligand label chain K	native annotation core contactexperimentally deposited fragmentscreened fragment structure · research ligand. Deposited geometry is not solution affinity.	Core: 3.7167 Å Pfam: 3.7167 Å	View deposited instance
7HGV · A1A33PDB:7HGV:LIG:K:A1A33:103:.	HDGFL2 PWWP1Protein label chain B · ligand label chain K	native annotation core contactexperimentally deposited fragmentscreened fragment structure · research ligand. Deposited geometry is not solution affinity.	Core: 2.9142 Å Pfam: 2.9142 Å	View deposited instance
7HGV · A1A33PDB:7HGV:LIG:M:A1A33:102:.	HDGFL2 PWWP1Protein label chain C · ligand label chain M	native annotation core contactexperimentally deposited fragmentscreened fragment structure · research ligand. Deposited geometry is not solution affinity.	Core: 2.9674 Å Pfam: 2.9674 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/A1A33

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.