{"id":"W4403558218","doi":"10.1021/acs.jmedchem.4c01320","title":"Covalent Inhibitors of S100A4 Block the Formation of a Pro-Metastasis Non-Muscle Myosin 2A Complex","year":2024,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"S100 Proteins and Annexins","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"European Federation of Pharmaceutical Industries and Associations; McGill University; Diamond Light Source; Innovative Medicines Initiative; Horizon 2020 Framework Programme; Kungliga Tekniska Högskolan","keywords":"Chemistry; Covalent bond; Myosin; Block (permutation group theory); Biochemistry; Stereochemistry; Biophysics; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001533305,0.0004304619,0.0002190852,0.000399357,0.000145898,0.0001607224,0.0005583003,0.0003629889,0.006438142],"category_scores_gemma":[0.0001056753,0.0002121571,0.0002114085,0.0001802384,0.000172248,0.0001374452,0.0001592719,0.0006668555,0.001076699],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004644273,"about_ca_system_score_gemma":0.0003210776,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001278714,"about_ca_topic_score_gemma":0.00222414,"domain_scores_codex":[0.9998581,0.00001658019,0.000009063721,0.00002521916,0.00004961641,0.0000414563],"domain_scores_gemma":[0.9999238,0.00002540745,0.00001319038,0.000007752567,0.000009039826,0.00002073425],"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":[0.0002007203,0.0001133993,0.00006134802,0.00004458633,0.00001122893,0.00004449242,0.00000777829,0.0001157035,0.9965037,0.0002099088,0.0005478782,0.002139166],"study_design_scores_gemma":[0.00004745083,0.0005286491,0.001283493,0.00000440778,0.000006668262,0.00008248766,0.000009289485,0.001637085,0.9924987,0.00005814966,0.003839648,0.000004055381],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9658054,0.00453998,0.009699945,0.0007516855,0.0002149603,0.0002102627,0.001619914,0.0007276052,0.01643023],"genre_scores_gemma":[0.9624695,0.002597108,0.009138476,0.0001925417,0.00002537616,0.0002091073,0.002301058,0.000069679,0.02299708],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006438142,"threshold_uncertainty_score":0.02153772,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0161662399002861,"score_gpt":0.2705552807204307,"score_spread":0.2543890408201446,"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."}}