{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000254474,0.0005839785,0.000430102,0.0002285546,0.0001431064,0.0004453199,0.0004213859,0.0003862987,0.0008374047],"category_scores_gemma":[0.0001934515,0.0001910424,0.0003184179,0.0002541649,0.0001359255,0.0002453994,0.00021152,0.0005386285,0.0005601472],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003832693,"about_ca_system_score_gemma":0.0002299426,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006460259,"about_ca_topic_score_gemma":0.001085877,"domain_scores_codex":[0.9998114,0.00003254131,0.00001800753,0.00003666647,0.00006874911,0.00003273954],"domain_scores_gemma":[0.9999151,0.00001288316,0.00002807297,0.000008065107,0.00002182078,0.00001399145],"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":[0.00004600366,0.00003618487,0.0001086713,0.00005096999,0.000007260456,0.00002804353,0.00000992172,0.0001738373,0.9979461,0.00003935742,0.0000540175,0.001499565],"study_design_scores_gemma":[0.00001687128,0.0004592364,0.0008113979,0.000003698654,0.00001856595,0.0001970074,0.00001135006,0.0007504142,0.9949566,0.00001407173,0.002754213,0.00000662369],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9676669,0.003971336,0.02178689,0.0003447732,0.00002522384,0.0003482097,0.001755218,0.000297764,0.003803548],"genre_scores_gemma":[0.9689711,0.004185679,0.0182641,0.0001860086,0.00001459991,0.0002005869,0.003269218,0.00006090771,0.004847773],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008374047,"threshold_uncertainty_score":0.002801418,"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."}}