{"id":"W4414517906","doi":"10.1021/acsinfecdis.5c00610","title":"Discovery and Characterization of Cell-Permeable Inhibitors of <i>Leishmania mexicana</i> CLK1 Using an In-Cell Target Engagement Assay","year":2025,"lang":"en","type":"article","venue":"ACS Infectious Diseases","topic":"Research on Leishmaniasis Studies","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium","funders":"Medical Research Council; Empresa Brasileira de Pesquisa e Inovação Industrial; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Fundação de Amparo à Pesquisa do Estado de São Paulo; Promega; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Wellcome Trust","keywords":"Druggability; Drug discovery; Kinome; Kinase; Amastigote; Mutant; Leishmania; Fusion protein; Target protein; High-throughput screening","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":[0.0003282544,0.0001730509,0.0004468727,0.0003814866,0.0001049661,0.00003201244,0.00007517242,0.00006081012,0.00001532238],"category_scores_gemma":[0.0002381004,0.000161449,0.00006727422,0.0004805072,0.0001732929,0.0003974794,0.0001589799,0.0001547843,7.091571e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001342797,"about_ca_system_score_gemma":0.0002490905,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004476885,"about_ca_topic_score_gemma":0.00005618394,"domain_scores_codex":[0.9985046,0.000207239,0.0004224711,0.0003043845,0.0003099986,0.000251247],"domain_scores_gemma":[0.9991228,0.0001449917,0.0001709115,0.0002918566,0.0001777017,0.0000917416],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.00007587189,0.001162137,0.6103185,0.0007902587,0.0000589523,0.000009558868,0.0001771798,0.00005107627,0.3868817,0.00008664596,0.0001251129,0.0002630383],"study_design_scores_gemma":[0.002263314,0.0005053105,0.5301402,0.0004382512,0.0002772205,0.000002562896,0.0006003422,0.000612788,0.4643965,0.0002242481,0.0003313495,0.0002078857],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961061,0.0005013285,0.000247912,0.00007078184,0.0001207173,0.0005604284,0.00006877269,0.0000310941,0.002292838],"genre_scores_gemma":[0.9987342,0.000724708,0.00006592904,0.000132191,0.00005458889,0.00002460481,0.00005888131,0.00002017355,0.0001846637],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08017831,"threshold_uncertainty_score":0.65837,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01624620666743823,"score_gpt":0.2824274590622033,"score_spread":0.2661812523947651,"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."}}