{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002205471,0.0003481919,0.0001913315,0.0001387693,0.0001236917,0.0002252024,0.000438988,0.0002884414,0.0009447271],"category_scores_gemma":[0.0001883853,0.0001661351,0.000204327,0.0001785283,0.0001929455,0.0002520303,0.0002547828,0.0005292587,0.0003710848],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003709955,"about_ca_system_score_gemma":0.000194449,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003370778,"about_ca_topic_score_gemma":0.0005722795,"domain_scores_codex":[0.9998621,0.00001710937,0.0000102812,0.00004797747,0.0000333482,0.00002916315],"domain_scores_gemma":[0.9999515,0.00000785086,0.00001678529,0.000006029333,0.000007523776,0.00001029458],"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":[0.00006134126,0.00003317789,0.0001266476,0.00008964013,0.0000126871,0.00008542532,0.00001582734,0.0003931775,0.9938322,0.0006095407,0.0002092026,0.004531176],"study_design_scores_gemma":[0.00001157262,0.0001341357,0.0003178472,0.00000274158,0.00001257065,0.0001778992,0.000004781086,0.001194241,0.993163,0.00005581434,0.004920349,0.000005103505],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.892495,0.006266229,0.08724942,0.0004963911,0.0001264438,0.0003070518,0.00070358,0.0006871734,0.01166869],"genre_scores_gemma":[0.9768878,0.002428575,0.0158501,0.0001580684,0.00001552524,0.00008197227,0.0003350627,0.00003945485,0.004203521],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009447271,"threshold_uncertainty_score":0.003160477,"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."}}