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no connectivity-only or name-only merge.", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 8, "name": "BPP", "negative_count": 4, "observation_ids": [ "PWWP:ASSAY:0011", "PWWP:ASSAY:0012", "PWWP:ASSAY:0013", "PWWP5:ASSAY:0028", "PWWP5:ASSAY:0029", "PWWP5:ASSAY:0030", "PWWP5:ASSAY:0031", "PWWP5:ASSAY:0032" ], "pdb_structure_count": 2, "preparation_count": 1, "preparation_ids": [ "PREP:BPP" ], "protein_ids": [ "UP:O75475", "UP:O96028", "UP:P55201", "UP:Q49A26", "UP:Q7Z4V5", "UP:Q9UBC3", "UP:Q9Y3E1" ], "relationships": [], "relevant": true, "search_text": "bpp inchikey:lkknqjjsemqthq-uhfffaoysa-n 4-(4-bromanyl-1~{h}-pyrazol-3-yl)pyridine bpp brpf1 dnmt3b glyr1 hdgfl2 hdgfl3 nsd2 psip1 up:o75475:pwwp1 up:p55201:pwwp1 up:q49a26:pwwp1 up:q7z4v5:pwwp1 up:q9ubc3:pwwp1 up:q9y3e1:pwwp1 8z6c 9g94 {\"aliases\":[\"4-(4-bromanyl-1~{h}-pyrazol-3-yl)pyridine\"],\"ccd_ids\":[\"a1d73\"],\"ccd_names\":\"[\\\"4-(4-bromanyl-1~{h}-pyrazol-3-yl)pyridine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:lkknqjjsemqthq-uhfffaoysa-n\",\"connectivity_block\":\"lkknqjjsemqthq\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1d73\\\": 0}\",\"formulae\":\"[\\\"c8 h6 br n3\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"lkknqjjsemqthq-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c1cnccc1c2c(c[nh]n2)br\",\"primary_name\":\"4-(4-bromanyl-1~{h}-pyrazol-3-yl)pyridine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1d73\\\": \\\"c1cnccc1c2c(c[nh]n2)br\\\"}\",\"source_metadata_sha256\":\"{\\\"a1d73\\\": \\\"0a1b5e70da9485a8ac9dec8cef8886ee561ff0416a4e42562c12bf063bee65ec\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1d73\"]} pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981 pmid:39031937 2024 https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "source_urls": [ "https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981", "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "https://www.rcsb.org/ligand/A1D73" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0030", "assay_type": "Binding selectivity; assay method not verified in Figure S2", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_name": "BPP", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:P55201:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_binding", "evidence_location": "Results: selectivity paragraph referring to Figure S2", "evidence_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "gene": "BRPF1", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": true, "method": "Binding selectivity; assay method not verified in Figure S2", "negative_evidence_scope": "Non-detectable binding in the source experimental comparison; assay limits not recovered.", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:BPP", "protein_id": "UP:P55201", "publication_year": 2024, "qualitative_result": "Source reports non-detectable affinity in the tested selectivity comparison.", "reference_id": "PMID:39031937", "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.", "replicates": null, "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:WEI2024", "source_measurement_key": "8b0073aae5fc1c92500107f909e335ed9da0b5cd65e6267735d56dfaa9bcf493", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0030", "assay_type": "Binding selectivity; assay method not verified in Figure S2", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_name": "BPP", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:P55201:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_binding", "evidence_location": "Results: selectivity paragraph referring to Figure S2", "evidence_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "gene": "BRPF1", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": true, "negative_evidence_scope": "Non-detectable binding in the source experimental comparison; assay limits not recovered.", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:BPP", "protein_id": "UP:P55201", "publication_year": 2024, "qualitative_result": "Source reports non-detectable affinity in the tested selectivity comparison.", "reference_id": "PMID:39031937", "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.", "replicates": null, "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_id": "P5:S:WEI2024", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved", "target_scope": "domain_specific", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 1, "context_measured_count": 1, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 1, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": false, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "structural" ], "cellular_activity": false, "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 8, "name": "BPP", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0011", "PWWP:ASSAY:0012", "PWWP:ASSAY:0013", "PWWP5:ASSAY:0028", "PWWP5:ASSAY:0032", "PWWP5:ASSAY:0029", "PWWP5:ASSAY:0030", "PWWP5:ASSAY:0031" ], "source_site_ids": [ "PDB:8Z6C:LIG:D:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:9G94:LIG:D:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:9G94:LIG:G:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:8Z6C:LIG:G:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:9G94:LIG:G:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:8Z6C:LIG:J:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:C", "PDB:9G94:LIG:J:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:C", "PDB:8Z6C:LIG:D:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:C" ], "structural_research_ligand": true, "structural_research_site_count": 8, "studied_compound": true, "total_observation_count": 8, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": false, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0030": { "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "domain_id": "UP:P55201:PWWP1", "endpoint": "qualitative", "evidence_type": "qualitative_binding", "explicitly_negative": true, "measured": true, "method": "Binding selectivity; assay method not verified in Figure S2", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0030", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:BPP", "protein_id": "UP:P55201", "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:WEI2024", "source_location": "Results: selectivity paragraph referring to Figure S2", "source_role": "experimentally_studied_ligand", "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "primary_source_verified" } }, "example": null, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0030", "assay_type": "Binding selectivity; assay method not verified in Figure S2", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_name": "BPP", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:P55201:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_binding", "evidence_location": "Results: selectivity paragraph referring to Figure S2", "evidence_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "gene": "BRPF1", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": true, "method": "Binding selectivity; assay method not verified in Figure S2", "negative_evidence_scope": "Non-detectable binding in the source experimental comparison; assay limits not recovered.", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:BPP", "protein_id": "UP:P55201", "publication_year": 2024, "qualitative_result": "Source reports non-detectable affinity in the tested selectivity comparison.", "reference_id": "PMID:39031937", "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.", "replicates": null, "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:WEI2024", "source_measurement_key": "8b0073aae5fc1c92500107f909e335ed9da0b5cd65e6267735d56dfaa9bcf493", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0030", "assay_type": "Binding selectivity; assay method not verified in Figure S2", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N", "compound_name": "BPP", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:P55201:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_binding", "evidence_location": "Results: selectivity paragraph referring to Figure S2", "evidence_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981", "gene": "BRPF1", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": true, "negative_evidence_scope": "Non-detectable binding in the source experimental comparison; assay limits not recovered.", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:BPP", "protein_id": "UP:P55201", "publication_year": 2024, "qualitative_result": "Source reports non-detectable affinity in the tested selectivity comparison.", "reference_id": "PMID:39031937", "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.", "replicates": null, "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_id": "P5:S:WEI2024", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure 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}