{"id":"W2772559207","doi":"10.1021/acs.jmedchem.7b01674","title":"Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3)","year":2017,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cancer-related gene regulation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":41,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; Structural Genomics Consortium; University of Toronto","funders":"Eunice Kennedy Shriver National Institute of Child Health and Human Development; National Cancer Institute; National Institute of Child Health and Human Development; National Institute of General Medical Sciences; National Natural Science Foundation of China; Wellcome Trust","keywords":"Allosteric regulation; Chemistry; Structure–activity relationship; Biochemistry; Enzyme; Arginine; Drug discovery; Chemical synthesis; Stereochemistry; In vitro; Amino acid","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0003011266,0.0001161465,0.0002782905,0.00002930677,0.00003969589,0.000009829737,0.0001615213,0.0001368709,0.000004550288],"category_scores_gemma":[0.0002180634,0.00009635369,0.0001069638,0.00003466363,0.0002143023,0.00001491842,0.00004521955,0.0001658102,5.016268e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000244766,"about_ca_system_score_gemma":0.0001825635,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001648373,"about_ca_topic_score_gemma":0.000002597927,"domain_scores_codex":[0.9990417,0.00002269002,0.0004313018,0.0001308814,0.0002679894,0.0001053877],"domain_scores_gemma":[0.9987277,0.00001021899,0.0007332706,0.0002162463,0.0002409585,0.00007156286],"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":[0.0005952535,0.00005388356,0.001010782,0.000182934,0.0001461846,0.000007551954,0.00005792305,0.00002905172,0.9940073,0.000001100664,0.0001239783,0.003784027],"study_design_scores_gemma":[0.001297314,0.0005322417,0.005087784,0.0003276399,0.00009460395,0.0001701728,0.0001052948,0.00001212703,0.9920406,0.00003936903,0.0002094177,0.00008344733],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961713,0.00247206,0.0004981735,0.0003491505,0.00008762997,0.0000876416,0.00001028381,8.59196e-7,0.0003228986],"genre_scores_gemma":[0.9987931,0.0003198449,0.00023922,0.000008531888,0.0004415338,0.000001789038,0.000006500975,0.00001094375,0.0001784806],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004077002,"threshold_uncertainty_score":0.3929189,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006152145813663827,"score_gpt":0.2475681998762472,"score_spread":0.2414160540625833,"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."}}