Resolved chemical identity

MR837 (3f)

Studied + deposited research ligand

Complete deposited identity retained; no connectivity-only or name-only merge.

2 assay / association records1 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:WYAGGMZTARRIDX-UHFFFAOYSA-N
Full InChIKey: WYAGGMZTARRIDX-UHFFFAOYSA-N
Source identity status: complete deposited InChIKey
Deposited CCD identifiers: Q5D
External identifiers: See deposited identity and source links

Reference formula: C16H14N2OS
Calculated molecular weight: 282.368
Calculated descriptors: cLogP 3.4246 · TPSA 44.1 Å² · HBD 0 · 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: c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N
InChI: Not curated

{
  "aliases": [
    "4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide"
  ],
  "ccd_ids": [
    "Q5D"
  ],
  "ccd_names": "[\"4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "connectivity_block": "WYAGGMZTARRIDX",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"Q5D\": 0}",
  "formulae": "[\"C16 H14 N2 O S\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N",
  "primary_name": "4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"Q5D\": \"c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N\"}",
  "source_metadata_sha256": "{\"Q5D\": \"cd79b90f28f534ca0857c5ed8c356a210b6f4b6820c4df810482c24f0db6f57e\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/Q5D"
  ]
}

Source aliases (2)

4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide
MR837 (3f)

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
MR837 (3f)PREP:MR837	NSD2 PWWP1 Construct not curatedHomo sapiens	KdSPR Kddirect binding affinity	= 7 ± 3 µM7 µM · exact unit conversion	Experimental context Replicates Not curated Uncertainty definition Not curated; do not assume SD or SEM Temperature — Buffer Not curated Conditions {} Qualification Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.	PMID:33522809 · 2021primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened Original observation record { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0001", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0001\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Q5D\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MR837 (3f)\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figure 2\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/\", \"gene\": \"NSD2\", \"interpretation\": \"Distinct condition from the lower-DMSO SPR measurement; do not average.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6UE6\", \"reference_id\": \"PMID:33522809\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 3, \"units\": \"\u00b5M\", \"value\": 7, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}", "buffer": null, "ccd_id": "Q5D", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "MR837 (3f)", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure 2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": "6UE6", "preparation_id": "PREP:MR837", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:33522809", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "replicates": null, "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S01", "source_reported_uncertainty": "3", "source_reported_units": "\u00b5M", "source_reported_value": "7", "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": null, "uncertainty_uM": 3.0, "unit_conversion": null, "units": "\u00b5M", "value": 7.0, "value_operator": "=", "value_uM": 7.0, "verification_level": "primary_full_text_sections_verified" }
MR837 (3f)PREP:MR837	NSD2 PWWP1 Construct not curatedHomo sapiens	KdSPR Kddirect binding affinity	= 3.4 ± 0.4 µM3.4 µM · exact unit conversion	Experimental context Replicates Not curated Uncertainty definition Not curated; do not assume SD or SEM Temperature — Buffer Not curated Conditions {"DMSO_percent": 0.5} Qualification Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.	PMID:33522809 · 2021primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened Original observation record { "DMSO_percent": 0.5, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0002", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0002\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Q5D\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MR837 (3f)\", \"conditions\": {\"DMSO_percent\": 0.5}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figure S6\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/\", \"gene\": \"NSD2\", \"interpretation\": \"Lower-DMSO measurement; preserve assay conditions.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6UE6\", \"reference_id\": \"PMID:33522809\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.4, \"units\": \"\u00b5M\", \"value\": 3.4, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}", "buffer": null, "ccd_id": "Q5D", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "MR837 (3f)", "conditions": "{\"DMSO_percent\": 0.5}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S6", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "interpretation": "Lower-DMSO measurement; preserve assay conditions.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": "6UE6", "preparation_id": "PREP:MR837", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:33522809", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "replicates": null, "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S01", "source_reported_uncertainty": "0.4", "source_reported_units": "\u00b5M", "source_reported_value": "3.4", "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened", "temperature_C": null, "uncertainty": 0.4, "uncertainty_type": null, "uncertainty_uM": 0.4, "unit_conversion": null, "units": "\u00b5M", "value": 3.4, "value_operator": "=", "value_uM": 3.4, "verification_level": "primary_full_text_sections_verified" }

Preparation

Tested target & construct

Method / endpoint

Original observation

Conditions & uncertainty

Source & verification

MR837 (3f)PREP:MR837

NSD2 PWWP1
Construct not curatedHomo sapiens

KdSPR Kddirect binding affinity

= 7 ± 3 µM7 µM · exact unit conversion

Experimental context

Replicates: Not curated
Uncertainty definition: Not curated; do not assume SD or SEM
Temperature: —
Buffer: Not curated
Conditions: {}
Qualification: Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.

PMID:33522809 · 2021primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened

Original observation record

{
  "DMSO_percent": null,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0001",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0001\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Q5D\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MR837 (3f)\", \"conditions\": {}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figure 2\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/\", \"gene\": \"NSD2\", \"interpretation\": \"Distinct condition from the lower-DMSO SPR measurement; do not average.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6UE6\", \"reference_id\": \"PMID:33522809\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 3, \"units\": \"\u00b5M\", \"value\": 7, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": "Q5D",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "MR837 (3f)",
  "conditions": "{}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figure 2",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
  "gene": "NSD2",
  "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "6UE6",
  "preparation_id": "PREP:MR837",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:33522809",
  "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
  "replicates": null,
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S01",
  "source_reported_uncertainty": "3",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "7",
  "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
  "temperature_C": null,
  "uncertainty": 3.0,
  "uncertainty_type": null,
  "uncertainty_uM": 3.0,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 7.0,
  "value_operator": "=",
  "value_uM": 7.0,
  "verification_level": "primary_full_text_sections_verified"
}

MR837 (3f)PREP:MR837

NSD2 PWWP1
Construct not curatedHomo sapiens

KdSPR Kddirect binding affinity

= 3.4 ± 0.4 µM3.4 µM · exact unit conversion

Experimental context

Replicates: Not curated
Uncertainty definition: Not curated; do not assume SD or SEM
Temperature: —
Buffer: Not curated
Conditions: {"DMSO_percent": 0.5}
Qualification: Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.

PMID:33522809 · 2021primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened

Original observation record

{
  "DMSO_percent": 0.5,
  "abstract_reported_endpoint": null,
  "abstract_reported_method": null,
  "abstract_reported_units": null,
  "abstract_reported_value": null,
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_record_id": "PWWP:ASSAY:0002",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": 0,
  "audit_decision": "retain_with_explicit_endpoint_and_identity",
  "baseline_assay_record": 1,
  "baseline_original": "{\"assay_record_id\": \"PWWP:ASSAY:0002\", \"assay_type\": \"SPR Kd\", \"ccd_id\": \"Q5D\", \"ccd_mapping_source\": \"Provenance/Literature/ligand_ccd_associations.json\", \"compound_name\": \"MR837 (3f)\", \"conditions\": {\"DMSO_percent\": 0.5}, \"domain\": \"PWWP1\", \"evidence_location\": \"Results; Figure S6\", \"evidence_url\": \"https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/\", \"gene\": \"NSD2\", \"interpretation\": \"Lower-DMSO measurement; preserve assay conditions.\", \"numeric_value_inferred_from_structure\": false, \"pdb_id\": \"6UE6\", \"reference_id\": \"PMID:33522809\", \"role\": \"experimentally_studied_ligand\", \"uncertainty\": 0.4, \"units\": \"\u00b5M\", \"value\": 3.4, \"value_operator\": \"=\", \"verification_level\": \"primary_full_text_sections_verified\"}",
  "buffer": null,
  "ccd_id": "Q5D",
  "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
  "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "chemical_identity_status": "exact_single_CCD_identity",
  "component_context": null,
  "compound_name": "MR837 (3f)",
  "conditions": "{\"DMSO_percent\": 0.5}",
  "crystallographic_component_ids": null,
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint_label_status": null,
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Results; Figure S6",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
  "gene": "NSD2",
  "interpretation": "Lower-DMSO measurement; preserve assay conditions.",
  "molecular_entity_type": "small_molecule_preparation",
  "numeric_transcription_status": "matches_primary_report",
  "numeric_value_inferred_from_structure": 0,
  "pH": null,
  "pdb_id": "6UE6",
  "preparation_id": "PREP:MR837",
  "protein_id": "UP:O96028",
  "qualitative_result": null,
  "reference_id": "PMID:33522809",
  "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
  "replicates": null,
  "role": "experimentally_studied_ligand",
  "source_component_url": null,
  "source_id": "S01",
  "source_reported_uncertainty": "0.4",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "3.4",
  "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
  "temperature_C": null,
  "uncertainty": 0.4,
  "uncertainty_type": null,
  "uncertainty_uM": 0.4,
  "unit_conversion": null,
  "units": "\u00b5M",
  "value": 3.4,
  "value_operator": "=",
  "value_uM": 3.4,
  "verification_level": "primary_full_text_sections_verified"
}

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
6UE6 · Q5DPDB:6UE6:LIG:EA:Q5D:2001:.	NSD2 PWWP1Protein label chain C · ligand label chain EA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0676 Å Pfam: 3.0676 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:EA:Q5D:2001:.	NSD2 PWWP1Protein label chain D · ligand label chain EA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.7243 Å Pfam: 3.5858 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:I:Q5D:2001:.	NSD2 PWWP1Protein label chain A · ligand label chain I	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0594 Å Pfam: 3.0594 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:I:Q5D:2001:.	NSD2 PWWP1Protein label chain B · ligand label chain I	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.6933 Å Pfam: 3.6306 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:KA:Q5D:2001:.	NSD2 PWWP1Protein label chain A · ligand label chain KA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 4.1759 Å Pfam: 3.3717 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:KA:Q5D:2001:.	NSD2 PWWP1Protein label chain D · ligand label chain KA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0472 Å Pfam: 3.0472 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:LB:Q5D:2001:.	NSD2 PWWP1Protein label chain E · ligand label chain LB	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.8076 Å Pfam: 3.5141 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:LB:Q5D:2001:.	NSD2 PWWP1Protein label chain H · ligand label chain LB	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0433 Å Pfam: 3.0433 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:OA:Q5D:2001:.	NSD2 PWWP1Protein label chain E · ligand label chain OA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0334 Å Pfam: 3.0334 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:OA:Q5D:2001:.	NSD2 PWWP1Protein label chain F · ligand label chain OA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.6958 Å Pfam: 3.4302 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:S:Q5D:2001:.	NSD2 PWWP1Protein label chain B · ligand label chain S	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0146 Å Pfam: 3.0146 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:S:Q5D:2001:.	NSD2 PWWP1Protein label chain C · ligand label chain S	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.941 Å Pfam: 3.4529 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:UA:Q5D:2001:.	NSD2 PWWP1Protein label chain F · ligand label chain UA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.067 Å Pfam: 3.067 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:UA:Q5D:2001:.	NSD2 PWWP1Protein label chain G · ligand label chain UA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.8715 Å Pfam: 3.5688 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:ZA:Q5D:2001:.	NSD2 PWWP1Protein label chain G · ligand label chain ZA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.0377 Å Pfam: 3.0377 Å	View deposited instance
6UE6 · Q5DPDB:6UE6:LIG:ZA:Q5D:2001:.	NSD2 PWWP1Protein label chain H · ligand label chain ZA	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 3.909 Å Pfam: 3.5373 Å	View deposited instance

Preparations, identities and controls remain separate

Experimental context

MR837 (3f)

PREP:MR837

Complete deposited identity retained; no connectivity-only or name-only merge.

assay preparation

Complete preparation record

{
  "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
  "entity_type": "small_molecule_preparation",
  "exact_ccd_id": "Q5D",
  "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.",
  "identity_status": "exact_single_CCD_identity",
  "modeled_candidate_ccd_ids": "[]",
  "modeled_candidate_chemical_ids": "[]",
  "name": "MR837 (3f)",
  "preparation_id": "PREP:MR837",
  "role": "assay_preparation",
  "sequence_if_defined": null
}

Provenance and reproducibility

Sources & downloads

https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/https://www.rcsb.org/ligand/Q5D

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.