{"id":"W4400623974","doi":"10.1016/j.ejmech.2024.116672","title":"Synthesis and evaluation of chemical linchpins for highly selective CK2α targeting","year":2024,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Protein Kinase Regulation and GTPase Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Genentech; Innovative Medicines Initiative; Deutschen Konsortium für Translationale Krebsforschung; Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; McGill University; Innovative Health Initiative; Ontario Genomics; Genome Canada; Diamond Light Source; Bayer; Pfizer; Deutsches Krebsforschungszentrum; Bristol-Myers Squibb","keywords":"Chemistry; Moiety; Casein kinase 2; Allosteric regulation; Kinase; Stereochemistry; Serine; Binding site; Small molecule; Threonine; Biochemistry; Casein kinase 1; Combinatorial chemistry; Chemical biology; Protein kinase A; Enzyme; Cyclin-dependent kinase 2","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002188941,0.0004474745,0.0003078789,0.0002706001,0.0001394545,0.0002005916,0.0003038357,0.0002998553,0.00131385],"category_scores_gemma":[0.0002096475,0.0001417045,0.0001502504,0.0002732969,0.000144261,0.0002471464,0.0001900875,0.0003897961,0.000366019],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003285802,"about_ca_system_score_gemma":0.0002472232,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002965149,"about_ca_topic_score_gemma":0.0007669024,"domain_scores_codex":[0.9998895,0.00001894911,0.00001080068,0.00002598124,0.00002937682,0.00002537253],"domain_scores_gemma":[0.9999086,0.00001292859,0.00003116592,0.000007268126,0.00001545913,0.00002465312],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001964525,0.0002027542,0.0001075918,0.0003053714,0.00001979511,0.0001774132,0.00004933654,0.001683333,0.980777,0.00124321,0.0003282652,0.01490955],"study_design_scores_gemma":[0.0001209971,0.002168014,0.0006181303,0.00001755822,0.00003345758,0.0001749813,0.00001394183,0.001540471,0.9836957,0.0001063258,0.01149452,0.00001587475],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9518093,0.007650467,0.02847709,0.0002596535,0.0001145229,0.0007420959,0.001012086,0.0002577459,0.009677006],"genre_scores_gemma":[0.9692807,0.006216169,0.01894487,0.0001311506,0.00003817237,0.0003173775,0.000782523,0.00003919176,0.004249869],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00131385,"threshold_uncertainty_score":0.004395247,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01621907466411824,"score_gpt":0.2727558761429992,"score_spread":0.2565368014788809,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}