{"id":"W2334089285","doi":"10.1021/ml300207a","title":"Novel Inverse Binding Mode of Indirubin Derivatives Yields Improved Selectivity for DYRK Kinases","year":2012,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":68,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Genome Canada; Wellcome Trust; GlaxoSmithKline; Ontario Ministry of Research and Innovation; Pfizer; Eli Lilly and Company","keywords":"Selectivity; Moiety; Kinase; Biology; Materials science; Stereochemistry; Biochemistry; Chemistry","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":[0.000162037,0.0002769901,0.0004353815,0.0001320171,0.00009824179,0.0002429017,0.0004454383,0.0002552803,0.001051519],"category_scores_gemma":[0.0001737783,0.0001363548,0.0001351522,0.0001117448,0.0001719127,0.0002162874,0.0001503136,0.0004573151,0.0003291734],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002713069,"about_ca_system_score_gemma":0.0001373253,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004003685,"about_ca_topic_score_gemma":0.0007696618,"domain_scores_codex":[0.9998811,0.00002188898,0.00001035028,0.00002809582,0.00002565997,0.00003284384],"domain_scores_gemma":[0.9999514,0.00001007108,0.0000134446,0.000006488201,0.000008385585,0.00001027224],"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":[0.0002316904,0.00004560459,0.0001059176,0.00004532194,0.000006669462,0.00009186727,0.0000193273,0.0003267555,0.9931972,0.0002936645,0.00005925907,0.005576774],"study_design_scores_gemma":[0.00006291874,0.0007726085,0.0006026514,0.000003409009,0.000022242,0.0003798353,0.000007219798,0.001389478,0.9942313,0.00003875417,0.002478062,0.00001141258],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9903755,0.001687836,0.004341213,0.0001013122,0.00002090012,0.00004607698,0.0000909657,0.0001032528,0.003232956],"genre_scores_gemma":[0.9935206,0.0005980137,0.004376477,0.00005668644,0.000007674472,0.00001866026,0.00009542326,0.00001234153,0.001314023],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001051519,"threshold_uncertainty_score":0.003517687,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02352960588958633,"score_gpt":0.2723586451505448,"score_spread":0.2488290392609585,"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."}}