{"id":"W3131552156","doi":"10.1021/acs.jmedchem.0c02160","title":"A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6","year":2021,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; Ontario Institute for Cancer Research; University of Toronto","funders":"Structural Genomics Consortium; National Cancer Institute; National Institutes of Health; National Institute of General Medical Sciences; Wellcome Trust; Icahn School of Medicine at Mount Sinai","keywords":"Chemistry; Allosteric regulation; Methyltransferase; Enantiomer; Arginine; Enzyme; Allosteric modulator; Stereochemistry; IC50; Biochemistry; Methylation; Amino acid; In vitro; Gene","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002291835,0.0005112713,0.000409757,0.0001714842,0.0001995359,0.000222808,0.0005856292,0.0004630938,0.001415862],"category_scores_gemma":[0.0001579829,0.0001577279,0.0002742347,0.0001619462,0.000206528,0.0002328533,0.000285574,0.0009237164,0.0007197449],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003040977,"about_ca_system_score_gemma":0.0002820836,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004005836,"about_ca_topic_score_gemma":0.001162763,"domain_scores_codex":[0.9998561,0.00002290371,0.000007136553,0.00003388304,0.00004450717,0.00003543997],"domain_scores_gemma":[0.9999464,0.000007066306,0.00001312825,0.000007072948,0.000008914522,0.00001739573],"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":[0.0003213007,0.0002018994,0.000279582,0.0002114037,0.00002068774,0.0001504048,0.00003302101,0.0004792601,0.9818493,0.0006361554,0.00110249,0.01471454],"study_design_scores_gemma":[0.0002142899,0.00144753,0.001004755,0.00001169491,0.00002916779,0.0009132756,0.00001692613,0.00163745,0.9718864,0.0001088969,0.02270853,0.00002097022],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9154848,0.02461402,0.03853993,0.001041944,0.0004610914,0.0005650281,0.001946498,0.001152896,0.01619373],"genre_scores_gemma":[0.9620006,0.009105914,0.01601403,0.0004743396,0.00007767356,0.0001614283,0.00211672,0.00005928205,0.00999008],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001415862,"threshold_uncertainty_score":0.004736483,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004448570391627604,"score_gpt":0.2193895223852833,"score_spread":0.2149409519936557,"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."}}