{"id":"W1989930530","doi":"10.1111/j.1747-0285.2009.00909.x","title":"Heme Oxygenase Inhibition by 2‐Oxy‐substituted 1‐Azolyl‐4‐phenylbutanes: Effect of Variation of the Azole Moiety. X‐Ray Crystal Structure of Human Heme Oxygenase‐1 in Complex with 4‐Phenyl‐1‐(1<i>H</i>‐1,2,4‐triazol‐1‐yl)‐2‐butanone<sup>†</sup>","year":2009,"lang":"en","type":"article","venue":"Chemical Biology & Drug Design","topic":"Heme Oxygenase-1 and Carbon Monoxide","field":"Biochemistry, Genetics and Molecular Biology","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Azole; Moiety; Imidazole; Pharmacophore; Heme oxygenase; Stereochemistry; Triazole; Heme; Tetrazole; 1,2,4-Triazole; Enzyme; Medicinal chemistry; Biochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0005245067,0.0005772712,0.000932106,0.0001196818,0.00009074214,0.00001302119,0.0005536138,0.000660699,0.00005854136],"category_scores_gemma":[0.0001989093,0.0004259767,0.0002955396,0.0005443719,0.0005585572,0.0000214092,0.0001225632,0.0003714279,0.000001308715],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007275831,"about_ca_system_score_gemma":0.0001588038,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007988539,"about_ca_topic_score_gemma":0.00001600189,"domain_scores_codex":[0.9966729,0.0005310899,0.001068307,0.0008128459,0.0003239732,0.0005908819],"domain_scores_gemma":[0.9980446,0.0001453713,0.0006294652,0.0008148645,0.0002047231,0.0001609428],"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":[0.00114733,0.0002569259,0.0009745816,0.0001110347,0.0001385017,0.000004159438,0.0002380514,0.0006348135,0.9955955,0.00009855094,0.0006483346,0.0001522413],"study_design_scores_gemma":[0.0032531,0.0008002962,0.001060084,0.00009260931,0.0001079639,0.00002033012,0.00008181364,0.0003146531,0.9933447,0.0003764453,0.0001167162,0.0004313358],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.99653,0.0004958692,0.001353498,0.0001212469,0.00003982181,0.0009615101,0.0003892093,0.00002816665,0.00008068174],"genre_scores_gemma":[0.9970691,0.00003520785,0.001017078,0.0001971281,0.0001187479,0.00003113149,0.001468798,0.00004308553,0.00001973975],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002250823,"threshold_uncertainty_score":0.9998192,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006608995145661619,"score_gpt":0.2214963597865045,"score_spread":0.2148873646408429,"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."}}