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"research_pdb_count": 1, "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": false, "research_site_count": 2, "unknown_site_count": 0, "annotation_roles": [ "structural" ] }, "science_label": "Deposited research ligand ยท no curated assay", "science_profile": { "annotation_roles": [ "structural" ], "cellular_activity": false, "chemical_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "2-methoxy-N-[(4-methylphenyl)methyl]acetamide", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:B" ], "structural_research_ligand": true, "structural_research_site_count": 2, "studied_compound": false, "total_observation_count": 0, "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": { "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A34", "chemical_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f7c57aabcf1cbcb0badead18c8a303bcf86dcee8e39f832783bc0d41e70083a4", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGB:LIG:J:A1A34:103:.", "observed_other_component": false, "pdb_id": "7HGB", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGB", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1A34", "chemical_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f7c57aabcf1cbcb0badead18c8a303bcf86dcee8e39f832783bc0d41e70083a4", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGB:LIG:J:A1A34:103:.", "observed_other_component": false, "pdb_id": "7HGB", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGB", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 } ] }