{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001901925,0.0001319807,0.0002789128,0.00003794828,0.00001990905,0.000005169579,0.00007447119,0.0001731323,0.00002755322],"category_scores_gemma":[0.0001354288,0.0001236878,0.00008246584,0.00016524,0.00008074209,0.000007362344,0.00002948577,0.0002575957,1.666585e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006399598,"about_ca_system_score_gemma":0.0003666015,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008776708,"about_ca_topic_score_gemma":0.00001609764,"domain_scores_codex":[0.9989811,0.00004122217,0.000408838,0.0001853991,0.0002435984,0.000139795],"domain_scores_gemma":[0.9991738,0.0000233,0.0002733823,0.0001191252,0.0003080519,0.0001022939],"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":[0.0006512494,0.0001019877,0.0002672613,0.0002059724,0.00008000482,0.0000661749,0.0001480379,0.0001305983,0.9972545,6.827731e-7,0.0001751248,0.000918422],"study_design_scores_gemma":[0.002033857,0.0003869336,0.001175798,0.0002731623,0.0000602728,0.0003804133,0.0002687255,0.00003569801,0.9932933,0.00002766056,0.001956033,0.0001081338],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9937221,0.004851297,0.0001931427,0.0006225694,0.00007209479,0.00008549428,0.00000916839,0.000001494957,0.0004426206],"genre_scores_gemma":[0.9983895,0.0004703791,0.000438721,0.00002826059,0.0004015072,0.000004575604,0.00001462804,0.00001387073,0.0002385789],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004667361,"threshold_uncertainty_score":0.5043841,"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."}}