Resolved chemical identity

DIMETHYL SULFOXIDE

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

Reference formula: C2H6OS
Calculated molecular weight: 78.136
Calculated descriptors: cLogP -0.0053 · TPSA 17.07 Å² · HBD 0 · HBA 1RDKit 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: CS(=O)C
InChI: Not curated

{
  "aliases": [
    "DIMETHYL SULFOXIDE"
  ],
  "ccd_ids": [
    "DMS"
  ],
  "ccd_names": "[\"DIMETHYL SULFOXIDE\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
  "connectivity_block": "IAZDPXIOMUYVGZ",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"DMS\": 0}",
  "formulae": "[\"C2 H6 O S\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "CS(=O)C",
  "primary_name": "DIMETHYL SULFOXIDE",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"DMS\": \"CS(=O)C\"}",
  "source_metadata_sha256": "{\"DMS\": \"54ae3fd9589c10cb56878408fb26cb18f3efc89d0b608cae0ba972d3472e1ac1\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/DMS"
  ]
}

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
8Z6O · DMSPDB:8Z6O:LIG:C:DMS:101:.	HDGFL2 PWWP1Protein label chain A · ligand label chain C	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 3.0211 Å Pfam: 3.0211 Å	View deposited instance
9GRS · DMSPDB:9GRS:LIG:D:DMS:101:.	HDGFL2 PWWP1Protein label chain A · ligand label chain D	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.369 Å Pfam: 2.369 Å	View deposited instance
9GRS · DMSPDB:9GRS:LIG:K:DMS:601:.	HDGFL2 PWWP1Protein label chain C · ligand label chain K	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.6026 Å Pfam: 2.6026 Å	View deposited instance
9GRT · DMSPDB:9GRT:LIG:J:DMS:103:.	HDGFL2 PWWP1Protein label chain A · ligand label chain J	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 3.5407 Å Pfam: 3.5407 Å	View deposited instance
9GRT · DMSPDB:9GRT:LIG:J:DMS:103:.	HDGFL2 PWWP1Protein label chain B · ligand label chain J	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.9653 Å Pfam: 2.9653 Å	View deposited instance
9GRV · DMSPDB:9GRV:LIG:H:DMS:101:.	HDGFL2 PWWP1Protein label chain A · ligand label chain H	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 3.6394 Å Pfam: 3.6394 Å	View deposited instance
9GRV · DMSPDB:9GRV:LIG:H:DMS:101:.	HDGFL2 PWWP1Protein label chain B · ligand label chain H	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.8673 Å Pfam: 2.8673 Å	View deposited instance
9GRV · DMSPDB:9GRV:LIG:J:DMS:101:.	HDGFL2 PWWP1Protein label chain C · ligand label chain J	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.6396 Å Pfam: 2.6396 Å	View deposited instance
9I7B · DMSPDB:9I7B:LIG:C:DMS:101:.	HDGFL2 PWWP1Protein label chain A · ligand label chain C	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.765 Å Pfam: 2.765 Å	View deposited instance
9I7B · DMSPDB:9I7B:LIG:F:DMS:101:.	HDGFL2 PWWP1Protein label chain B · ligand label chain F	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.6877 Å Pfam: 2.6877 Å	View deposited instance
9I7C · DMSPDB:9I7C:LIG:D:DMS:101:.	HDGFL2 PWWP1Protein label chain A · ligand label chain D	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.7213 Å Pfam: 2.7213 Å	View deposited instance
9I7C · DMSPDB:9I7C:LIG:G:DMS:101:.	HDGFL2 PWWP1Protein label chain A · ligand label chain G	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 3.5334 Å Pfam: 3.5334 Å	View deposited instance
9I7C · DMSPDB:9I7C:LIG:G:DMS:101:.	HDGFL2 PWWP1Protein label chain B · ligand label chain G	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.952 Å Pfam: 2.952 Å	View deposited instance
9I7C · DMSPDB:9I7C:LIG:J:DMS:101:.	HDGFL2 PWWP1Protein label chain C · ligand label chain J	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.7182 Å Pfam: 2.7182 Å	View deposited instance
9I7J · DMSPDB:9I7J:LIG:F:DMS:101:.	HDGFL2 PWWP1Protein label chain C · ligand label chain F	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.7739 Å Pfam: 2.7739 Å	View deposited instance
9I7J · DMSPDB:9I7J:LIG:F:DMS:101:.	HDGFL2 PWWP1Protein label chain D · ligand label chain F	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 3.5888 Å Pfam: 3.5888 Å	View deposited instance
9I7J · DMSPDB:9I7J:LIG:G:DMS:101:.	HDGFL2 PWWP1Protein label chain D · ligand label chain G	native annotation core contactsolventsolvent · other component. Deposited geometry is not solution affinity.	Core: 2.8998 Å Pfam: 2.8998 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/DMS

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.