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"9GRS" ], "protein_ids": [ "UP:Q7Z4V5" ], "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "genes": [ "HDGFL2" ], "is_probe": false, "is_control": false, "classifications": [], "relationships": [], "source_urls": [ "https://www.rcsb.org/ligand/A1H6Y" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "depiction": { "status": "verified_smiles_full_inchikey_match", "files": { "light": "94a954a61167635fe458-light.svg", "dark": "94a954a61167635fe458-dark.svg" }, "rdkit_version": "2025.09.3", "computed_inchikey": "FJLFSYRGFJDJMQ-UHFFFAOYSA-N", "calculated_molecular_weight": 235.102, "calculated_formula": "C7H7BrO2S", "calculated_logP": 1.8526, "calculated_HBD": 0, "calculated_HBA": 2, "calculated_TPSA": 34.14, "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement" }, "assay_count": 0, "measured_observation_count": 0, "bound_structure_count": 1, "pdb_structure_count": 1, "negative_count": 0, "preparation_count": 0, 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"4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole" ], "external_identifiers": {}, "curation_version": "frozen-v1.2", "retrieval_date": "2026-10-24" }, "identity_resolved": true, "identity_note": "complete_deposited_InChIKey", "aliases": [ "4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole" ], "preparation_ids": [], "associated_pdb_ids": [ "6G2F" ], "protein_ids": [ "UP:Q9BZ95" ], "domain_ids": [ "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD3" ], "is_probe": false, "is_control": false, "classifications": [], "relationships": [], "source_urls": [ "https://www.rcsb.org/ligand/EHW" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "depiction": { "status": "verified_smiles_full_inchikey_match", "files": { "light": "a777f153aedb74c06a50-light.svg", "dark": "a777f153aedb74c06a50-dark.svg" }, "rdkit_version": "2025.09.3", "computed_inchikey": "FOQLCYIBXICLES-UHFFFAOYSA-N", 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"(2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide", "isomeric_smiles": "Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@@H]3CCS(=O)(=O)C3", "aliases": [ "(2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide" ], "external_identifiers": {}, "curation_version": "frozen-v1.2", "retrieval_date": "2026-10-24" }, "identity_resolved": true, "identity_note": "complete_deposited_InChIKey", "aliases": [ "(2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide" ], "preparation_ids": [], "associated_pdb_ids": [ "9FOC" ], "protein_ids": [ "UP:O96028" ], "domain_ids": [ "UP:O96028:PWWP1" ], "genes": [ "NSD2" ], "is_probe": false, "is_control": false, "classifications": [], "relationships": [ { "subject_id": "PREP:COLLIE2025_11", "object_id": "PREP:COLLIE2025_11", "relationship": "has modeled candidate not exact identity", "source_url": "https://www.rcsb.org/structure/9FOC", "scope": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "original_subject_id": "PREP:COLLIE2025_11", "original_object_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N", "direction": "inverse" } ], "source_urls": [ "https://www.rcsb.org/ligand/A1IEG" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "depiction": { "status": "verified_smiles_full_inchikey_match", "files": { "light": "baa8ac5817f9f50c15af-light.svg", "dark": "baa8ac5817f9f50c15af-dark.svg" }, "rdkit_version": "2025.09.3", "computed_inchikey": "FPDVOQXTUVFQHW-KBPBESRZSA-N", "calculated_molecular_weight": 381.502, "calculated_formula": "C17H27N5O3S", "calculated_logP": 0.3707, "calculated_HBD": 1, "calculated_HBA": 7, "calculated_TPSA": 95.5, "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement" }, "assay_count": 0, "measured_observation_count": 0, "bound_structure_count": 1, "pdb_structure_count": 1, "negative_count": 0, "preparation_count": 0, "has_bioactivity_only": false, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Structure-supported identity" }, { "compound_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N", "name": "(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide", "entity_kind": "chemical_identity", "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N", "identity": { "ccd_ids": [ "A1IFS" ], "ccd_names": "[\"(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N", "connectivity_block": "FPDVOQXTUVFQHW", "curated_source_sha256": null, "formal_charge_by_ccd": "{\"A1IFS\": 0}", "formulae": "[\"C17 H27 N5 O3 S\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "FPDVOQXTUVFQHW-KGLIPLIRSA-N", "inventory_origin": "v1_CCD_inventory", "smiles_stereo_by_ccd": "{\"A1IFS\": \"Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@H]3CCS(=O)(=O)C3\"}", "source_metadata_sha256": "{\"A1IFS\": \"285d1afe197f252c26f800f7b7feae6d8c378fe339adecfdc2b4848567f04379\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1IFS" ], "primary_name": "(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide", "isomeric_smiles": "Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@H]3CCS(=O)(=O)C3", "aliases": [ "(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide" ], "external_identifiers": {}, "curation_version": "frozen-v1.2", "retrieval_date": "2026-10-24" }, "identity_resolved": true, "identity_note": "complete_deposited_InChIKey", "aliases": [ "(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide" ], "preparation_ids": [], "associated_pdb_ids": [ "9FOC" ], "protein_ids": [ "UP:O96028" ], "domain_ids": [ "UP:O96028:PWWP1" ], "genes": [ "NSD2" ], "is_probe": false, "is_control": false, "classifications": [], "relationships": [ { "subject_id": "PREP:COLLIE2025_11", "object_id": "PREP:COLLIE2025_11", "relationship": "has modeled candidate not exact identity", "source_url": "https://www.rcsb.org/structure/9FOC", "scope": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. 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hydrochloride retained as a separate salt identity", "source_url": "https://pubchem.ncbi.nlm.nih.gov/compound/138115340", "retrieval_date": "2026-10-26", "version": "phase5.chemical_curation.1.1.0", "bound_pose": false, "clinical_status": "not independently assessed", "primary_name": "BI-9466", "aliases": [], "ccd_ids": [], "source_urls": [ "https://pubchem.ncbi.nlm.nih.gov/compound/138115340" ], "curation_version": "phase5-1.0.0" }, "identity_resolved": true, "identity_note": "Neutral parent/reference identity shown separately from the experimentally assayed preparation; salt, solvent and lot composition not independently established.", "aliases": [ "BI-9466" ], "preparation_ids": [ "PREP:BI-9466" ], "associated_pdb_ids": [], "protein_ids": [ "UP:Q9BZ95" ], "domain_ids": [ "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD3" ], "is_probe": false, "is_control": true, "classifications": [ "Experimental control" ], "relationships": [ { "relationship_id": "P5:REL:BI9466_SALT", "subject_chemical_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "predicate": "salt_of", "object_chemical_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "source_url": "https://pubchem.ncbi.nlm.nih.gov/compound/171349396", "interpretation": "Reference hydrochloride identity only; no assay values transferred between salt and parent.", "version": "phase5.chemical_curation.1.1.0", "retrieval_date": "2026-10-26", "subject_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "object_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "original_subject_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "original_object_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "relationship": "has salt of", "direction": "inverse", "scope": "Reference hydrochloride identity only; no assay values transferred between salt and parent." }, { "relationship_id": "P5:REL:BI-9466", "subject_preparation_id": "PREP:BI-9466", "predicate": "negative_control_for", "object_preparation_id": "PREP:BI-9321", "scope": "weaker NSD3-PWWP1 antagonist control", "source_id": "P5:S:SGC_BI9321", "source_url": "https://www.thesgc.org/chemical-probes/bi-9321", "retrieval_date": "2026-10-26", "version": "phase5.chemical_curation.1.1.0", "subject_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "object_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "original_subject_id": "PREP:BI-9466", "original_object_id": "PREP:BI-9321", "relationship": "negative_control_for" } ], "source_urls": [ "https://pubchem.ncbi.nlm.nih.gov/compound/138115340", "https://www.thesgc.org/chemical-probes/bi-9321" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "depiction": { "status": "verified_smiles_full_inchikey_match", "files": { "light": "90ef28fd22e7cb137aac-light.svg", "dark": "90ef28fd22e7cb137aac-dark.svg" }, "rdkit_version": "2025.09.3", "computed_inchikey": "SFZHMKDAVPIXRB-UHFFFAOYSA-N", "calculated_molecular_weight": 295.39, "calculated_formula": "C17H21N5", "calculated_logP": 2.5631, "calculated_HBD": 1, "calculated_HBA": 5, "calculated_TPSA": 61.66, "descriptor_scope": "RDKit calculation for the source identity; 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hydrochloride retained as a separate salt identity", "source_url": "https://pubchem.ncbi.nlm.nih.gov/compound/171349396", "retrieval_date": "2026-10-26", "version": "phase5.chemical_curation.1.1.0", "bound_pose": false, "clinical_status": "not independently assessed", "primary_name": "BI-9466 hydrochloride", "aliases": [], "ccd_ids": [], "source_urls": [ "https://pubchem.ncbi.nlm.nih.gov/compound/171349396" ], "curation_version": "phase5-1.0.0" }, "identity_resolved": true, "identity_note": "resolved_reference_identity", "aliases": [], "preparation_ids": [], "associated_pdb_ids": [], "protein_ids": [], "domain_ids": [], "genes": [], "is_probe": false, "is_control": false, "classifications": [], "relationships": [ { "relationship_id": "P5:REL:BI9466_SALT", "subject_chemical_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "predicate": "salt_of", "object_chemical_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "source_url": "https://pubchem.ncbi.nlm.nih.gov/compound/171349396", "interpretation": "Reference hydrochloride identity only; no assay values transferred between salt and parent.", "version": "phase5.chemical_curation.1.1.0", "retrieval_date": "2026-10-26", "subject_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "object_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "original_subject_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N", "original_object_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "relationship": "salt_of" } ], "source_urls": [ "https://pubchem.ncbi.nlm.nih.gov/compound/171349396" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "depiction": { "status": "verified_smiles_full_inchikey_match", "files": { "light": "ffeb283935c85599f263-light.svg", "dark": "ffeb283935c85599f263-dark.svg" }, "rdkit_version": "2025.09.3", "computed_inchikey": "IKWKUNYCXNAZMF-UHFFFAOYSA-N", "calculated_molecular_weight": 331.851, "calculated_formula": "C17H22ClN5", "calculated_logP": 2.9849, "calculated_HBD": 1, "calculated_HBA": 5, "calculated_TPSA": 61.66, "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement" }, "assay_count": 0, "measured_observation_count": 0, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 0, "preparation_count": 0, "has_bioactivity_only": false, "has_source_conflict": false, "verification_pending": false, "relevant": false, "category": "Deposited component / association" }, { "compound_id": "PREP:COLLIE2025_11", "name": "compound 11 (Collie 2025)", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "aliases": [ "compound 11 (Collie 2025)" ], "preparation_ids": [ "PREP:COLLIE2025_11" ], "associated_pdb_ids": [ "9FOC" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD2", "NSD3" ], "is_probe": false, "is_control": false, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "relationships": [ { "subject_id": "PREP:COLLIE2025_11", "object_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N", "relationship": "modeled_candidate_not_exact_identity", "source_url": "https://www.rcsb.org/structure/9FOC", "scope": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "original_subject_id": "PREP:COLLIE2025_11", "original_object_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N" }, { "subject_id": "PREP:COLLIE2025_11", "object_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N", "relationship": "modeled_candidate_not_exact_identity", "source_url": "https://www.rcsb.org/structure/9FOC", "scope": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "original_subject_id": "PREP:COLLIE2025_11", "original_object_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N" } ], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 3, "measured_observation_count": 3, "bound_structure_count": 0, "pdb_structure_count": 1, "negative_count": 1, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:COLLIE2025_12", "name": "compound 12 (Collie 2025)", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Separated compound 11 fraction labelled isomer 1; retention time 7.1 min, reported dr 98.84:1.16. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.", "aliases": [ "compound 12 (Collie 2025)" ], "preparation_ids": [ "PREP:COLLIE2025_12" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD2", "NSD3" ], "is_probe": false, "is_control": false, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 4, "measured_observation_count": 4, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 1, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:COLLIE2025_13", "name": "compound 13 (Collie 2025)", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Separated compound 11 fraction labelled isomer 2; retention time 8.2 min, reported dr 97.10:2.90. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.", "aliases": [ "compound 13 (Collie 2025)" ], "preparation_ids": [ "PREP:COLLIE2025_13" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD2", "NSD3" ], "is_probe": false, "is_control": false, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 4, "measured_observation_count": 4, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 1, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:COLLIE2025_5", "name": "compound 5 (Collie 2025)", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Racemate 5 is distinct from separated enantiomers 6 and 7.", "aliases": [ "compound 5 (Collie 2025)" ], "preparation_ids": [ "PREP:COLLIE2025_5" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD2", "NSD3" ], "is_probe": false, "is_control": false, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 3, "measured_observation_count": 3, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 1, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:COLLIE2025_6", "name": "compound 6 (Collie 2025)", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "aliases": [ "compound 6 (Collie 2025)" ], "preparation_ids": [ "PREP:COLLIE2025_6" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD2", "NSD3" ], "is_probe": false, "is_control": false, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 4, "measured_observation_count": 4, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 1, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:H4K20me3_11mer", "name": "H4K20me3 peptide / trimethyllysine monomer", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "M3L is one covalently linked residue, not the assayed peptide chemical identity.", "aliases": [ "H4K20me3 peptide / trimethyllysine monomer" ], "preparation_ids": [ "PREP:H4K20me3_11mer" ], "associated_pdb_ids": [ "3QBY" ], "protein_ids": [ "UP:Q7Z4V5" ], "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "genes": [ "HDGFL2" ], "is_probe": false, "is_control": false, "classifications": [ "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 2, "measured_observation_count": 1, "bound_structure_count": 0, "pdb_structure_count": 1, "negative_count": 0, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:HS13", "name": "HS13", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "aliases": [ "HS13" ], "preparation_ids": [ "PREP:HS13" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028" ], "domain_ids": [ "UP:O96028:PWWP1" ], "genes": [ "NSD2" ], "is_probe": false, "is_control": false, "classifications": [ "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://doi.org/10.1016/j.bmc.2026.118751" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 1, "measured_observation_count": 0, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 0, "preparation_count": 1, "has_bioactivity_only": false, "has_source_conflict": false, "verification_pending": true, "relevant": true, "category": "Verification pending" }, { "compound_id": "PREP:NbH10", "name": "NbH10", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "aliases": [ "NbH10" ], "preparation_ids": [ "PREP:NbH10" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O75475", "UP:Q7Z4V5" ], "domain_ids": [ "UP:O75475:PWWP1", "UP:Q7Z4V5:PWWP1" ], "genes": [ "HDGFL2", "PSIP1" ], "is_probe": false, "is_control": false, "classifications": [ "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 3, "measured_observation_count": 3, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 0, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:MS9715N", "name": "MS9715N", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Distinct VHL-ligand diastereomer of MS9715, source defines changed VHL stereocenters. No exact identity assigned by name-only matching. Retains measurable NSD3-PWWP1 binding; negative control applies to productive degradation.", "aliases": [ "MS9715N" ], "preparation_ids": [ "PREP:MS9715N" ], "associated_pdb_ids": [], "protein_ids": [ "UP:Q9BZ95" ], "domain_ids": [ "UP:Q9BZ95:PWWP1" ], "genes": [ "NSD3" ], "is_probe": false, "is_control": true, "classifications": [ "Experimental control", "Preparation identity unresolved" ], "relationships": [ { "relationship_id": "P5:REL:MS9715N", "subject_preparation_id": "PREP:MS9715N", "predicate": "negative_control_for", "object_preparation_id": "PREP:MS9715", "scope": "VHL-dependent degradation control; preserves NSD3-PWWP1 affinity", "source_id": "P5:S:XU2022", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "retrieval_date": "2026-10-26", "version": "phase5.chemical_curation.1.1.0", "subject_id": "PREP:MS9715N", "object_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N", "original_subject_id": "PREP:MS9715N", "original_object_id": "PREP:MS9715", "relationship": "negative_control_for" } ], "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 2, "measured_observation_count": 2, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 0, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:UNC7753", "name": "UNC7753", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Named experimental preparation supported by primary publication; 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no exact molecular depiction assigned until identity is independently resolved.", "aliases": [ "UNC8269" ], "preparation_ids": [ "PREP:UNC8269" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028" ], "domain_ids": [ "UP:O96028:PWWP1" ], "genes": [ "NSD2" ], "is_probe": false, "is_control": false, "classifications": [ "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://www.nature.com/articles/s41589-024-01660-y" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 3, "measured_observation_count": 3, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 0, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:UNC8325", "name": "UNC8325", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "aliases": [ "UNC8325" ], "preparation_ids": [ "PREP:UNC8325" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028" ], "domain_ids": [ "UP:O96028:PWWP1" ], "genes": [ "NSD2" ], "is_probe": false, "is_control": false, "classifications": [ "Preparation identity unresolved" ], "relationships": [], "source_urls": [ "https://www.nature.com/articles/s41589-024-01660-y" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 3, "measured_observation_count": 3, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 0, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:UNC8884", "name": "UNC8884", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "aliases": [ "UNC8884" ], "preparation_ids": [ "PREP:UNC8884" ], "associated_pdb_ids": [], "protein_ids": [ "UP:O96028" ], "domain_ids": [ "UP:O96028:PWWP1" ], "genes": [ "NSD2" ], "is_probe": false, "is_control": true, "classifications": [ "Experimental control", "Negative / censored observations", "Preparation identity unresolved" ], "relationships": [ { "relationship_id": "P5:REL:UNC8884", "subject_preparation_id": "PREP:UNC8884", "predicate": "negative_control_for", "object_preparation_id": "PREP:UNC8732", "scope": "matched PWWP1-binding negative control", "source_id": "P5:S:NIE2024", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "retrieval_date": "2026-10-26", "version": "phase5.chemical_curation.1.1.0", "subject_id": "PREP:UNC8884", "object_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N", "original_subject_id": "PREP:UNC8884", "original_object_id": "PREP:UNC8732", "relationship": "negative_control_for" } ], "source_urls": [ "https://www.nature.com/articles/s41589-024-01660-y" ], "development_status": "Not independently curated", "curation_version": "phase5-1.0.0", "assay_count": 1, "measured_observation_count": 1, "bound_structure_count": 0, "pdb_structure_count": 0, "negative_count": 1, "preparation_count": 1, "has_bioactivity_only": true, "has_source_conflict": false, "verification_pending": false, "relevant": true, "category": "Bioactivity only" }, { "compound_id": "PREP:DEFREITAS2021_1", "name": "compound 1 (de Freitas 2021)", "entity_kind": "experimental_preparation", "chemical_id": null, "identity": null, "identity_resolved": false, "identity_note": "The source describes two stereocenters, one diastereoisomer and equipotent enantiomers. 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