{"id":"W4379967278","doi":"10.1021/acs.jmedchem.2c02120","title":"Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase","year":2023,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":48,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; Ontario Institute for Cancer Research; University of Toronto","funders":"National Institute of General Medical Sciences; Genentech; Defense Advanced Research Projects Agency; Ontario Genomics; National Institutes of Health; James B. Pendleton Charitable Trust; Ontario Genomics Institute; European Federation of Pharmaceutical Industries and Associations; Structural Genomics Consortium; Merck KGaA; Genome Canada; McGill University; National Institute of Allergy and Infectious Diseases; Bayer; Pfizer; Bristol-Myers Squibb","keywords":"Chemistry; Docking (animal); IC50; Stereochemistry; Enzyme; Methyltransferase; Biochemistry; Gene; In vitro; Methylation","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":[0.000250271,0.0009317802,0.0008373553,0.0006339596,0.0002290719,0.0005383139,0.0005764287,0.000466399,0.002380528],"category_scores_gemma":[0.0002068413,0.0003731601,0.0006179532,0.0003894895,0.0002009938,0.0002876206,0.0004008378,0.0007877883,0.0006340572],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006158917,"about_ca_system_score_gemma":0.0004496775,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001244424,"about_ca_topic_score_gemma":0.004376521,"domain_scores_codex":[0.9998918,0.00001815448,0.000005073593,0.00001925648,0.00003362211,0.00003213369],"domain_scores_gemma":[0.999935,0.0000106771,0.00001356862,0.000004690362,0.00001278353,0.00002328814],"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":[0.001800274,0.001809517,0.00142259,0.0007132248,0.0003158071,0.0008151032,0.0001409539,0.03997463,0.8954546,0.001962908,0.00297156,0.05261883],"study_design_scores_gemma":[0.0053279,0.02727712,0.008580793,0.0002991859,0.0007599454,0.00198124,0.0001973833,0.07177957,0.8447576,0.001497605,0.0373563,0.0001853881],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9663643,0.01229175,0.007571347,0.0005527714,0.00009474876,0.000607411,0.001667104,0.0004414132,0.01040927],"genre_scores_gemma":[0.9716364,0.009838737,0.007924775,0.0003885655,0.00002664312,0.0002379137,0.002691634,0.00005748799,0.007197813],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002380528,"threshold_uncertainty_score":0.007963657,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0115482232919918,"score_gpt":0.2547331642139334,"score_spread":0.2431849409219417,"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."}}