{"id":"W2082862625","doi":"10.1021/jm401551n","title":"Heat Shock Protein 70 Inhibitors. 1. 2,5′-Thiodipyrimidine and 5-(Phenylthio)pyrimidine Acrylamides as Irreversible Binders to an Allosteric Site on Heat Shock Protein 70","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Heat shock proteins research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":60,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"National Center for Advancing Translational Sciences; National Cancer Institute; National Institute on Aging; Canadian Institutes of Health Research; National Center for Research Resources; U.S. Public Health Service","keywords":"Allosteric regulation; Chemistry; Hsp70; Pyrimidine; Heat shock protein; Cancer cell; Apoptosis; Cysteine; Biochemistry; Cancer; Cancer research; Enzyme; Biology","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":[0.0001483308,0.0004502959,0.0002260819,0.0002270605,0.00012025,0.0001576518,0.0003139632,0.0002073862,0.001124887],"category_scores_gemma":[0.00010847,0.0001550824,0.000206642,0.0001528151,0.0001928653,0.0001805597,0.0001446929,0.0003946793,0.000450217],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002588288,"about_ca_system_score_gemma":0.000187279,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003571722,"about_ca_topic_score_gemma":0.000786454,"domain_scores_codex":[0.9999187,0.00001737959,0.000004493079,0.00001621152,0.00002166623,0.00002147727],"domain_scores_gemma":[0.9999533,0.000007007849,0.00001859476,0.000003949489,0.000006290956,0.00001084762],"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":[0.0002671381,0.0001519071,0.0001398707,0.0001804505,0.00001338196,0.00006673327,0.00002567534,0.0008234862,0.9858234,0.0007885142,0.0002840664,0.01143535],"study_design_scores_gemma":[0.00008476686,0.004084401,0.001749185,0.00001610117,0.0000382689,0.0003565144,0.00001070958,0.001102472,0.9808703,0.00008814199,0.01158555,0.00001364197],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9549203,0.02241707,0.01173106,0.0001955102,0.00009268581,0.0002675051,0.0007501807,0.0004973827,0.009128312],"genre_scores_gemma":[0.9761626,0.00978667,0.006873867,0.0001467737,0.00002869603,0.000125291,0.000982416,0.00002940263,0.005864279],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001124887,"threshold_uncertainty_score":0.003763139,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01504929753903738,"score_gpt":0.2815024722282696,"score_spread":0.2664531746892322,"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."}}