{"id":"W4411923400","doi":"10.1021/acs.jmedchem.5c01204","title":"Covalent Targeting Leads to the Development of a LIMK1 Isoform-Selective Inhibitor","year":2025,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Universitätsmedizin der Johannes Gutenberg-Universität Mainz; Genentech; Deutsche Krebshilfe; Innovative Medicines Initiative; Bundesministerium für Bildung und Forschung; Deutschen Konsortium für Translationale Krebsforschung; Ontario Genomics Institute; Genome Canada; Deutsche Forschungsgemeinschaft; Deutsches Krebsforschungszentrum; Bayer; Bristol-Myers Squibb Foundation; Boehringer Ingelheim","keywords":"Chemistry; Covalent bond; Gene isoform; Cysteine; Biochemistry; Selectivity; Enzyme; Gene","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005684496,0.0001710638,0.0003254253,0.00003202277,0.0001583395,0.00001339305,0.0005071372,0.0001240118,0.0002946583],"category_scores_gemma":[0.0005837451,0.0001223797,0.0001394038,0.0003065582,0.00008910649,0.00003843738,0.0001065802,0.0005842423,0.000003772486],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002256619,"about_ca_system_score_gemma":0.0006317842,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001733551,"about_ca_topic_score_gemma":0.000001260104,"domain_scores_codex":[0.9981812,0.00000761162,0.0009372307,0.0001686812,0.0004754196,0.0002299187],"domain_scores_gemma":[0.9984872,0.0002118829,0.0005212865,0.0002344395,0.000398405,0.0001467692],"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":[0.0001357555,0.0001453337,0.0007677051,0.0004803342,0.0001024102,0.000004621931,0.0009175229,0.00003735341,0.9819204,0.000009802796,0.01190994,0.003568848],"study_design_scores_gemma":[0.0005196179,0.00001501067,0.0001426466,0.0006756455,0.00007302764,0.00004644594,0.002026573,0.00001561408,0.9503677,0.00006393596,0.0459513,0.0001025068],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9781311,0.0006232453,0.0009612769,0.002359237,0.000076782,0.0000513753,0.000007322377,0.00001183781,0.01777788],"genre_scores_gemma":[0.9957412,0.0000226491,0.001354503,0.0001418946,0.0006448964,0.00001709415,0.000007037181,0.00001022548,0.002060456],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03404136,"threshold_uncertainty_score":0.4990501,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01136629732802828,"score_gpt":0.2831774013683991,"score_spread":0.2718111040403708,"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."}}