{"id":"W2032055764","doi":"10.1021/jm900434f","title":"X-ray Crystal Structure of Human Heme Oxygenase-1 with (2<i>R</i>,4<i>S</i>)-2-[2-(4-Chlorophenyl)ethyl]-2-[(1<i>H</i>-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: A Novel, Inducible Binding Mode","year":2009,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Heme Oxygenase-1 and Carbon Monoxide","field":"Biochemistry, Genetics and Molecular Biology","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Heme oxygenase; Heme; Stereochemistry; Crystal structure; Thio-; Helix (gastropod); Methyl group; Dioxolane; Crystallography; Group (periodic table); Medicinal chemistry; Enzyme; Biochemistry; Organic chemistry","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":[0.000182174,0.0003343895,0.0005421035,0.0001202777,0.0003072268,0.0005351668,0.0008591306,0.0006713456,0.001847776],"category_scores_gemma":[0.0002956316,0.0002718875,0.0001622282,0.0002691323,0.0002296194,0.0003071135,0.0001365194,0.001182369,0.0004036256],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001041776,"about_ca_system_score_gemma":0.0006287364,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004579778,"about_ca_topic_score_gemma":0.004603402,"domain_scores_codex":[0.9998662,0.00002056543,0.000005332707,0.00002707119,0.00005394212,0.00002670099],"domain_scores_gemma":[0.9999161,0.00002056147,0.00002229761,0.000003238702,0.00001379221,0.00002398681],"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":[0.002218007,0.0005492142,0.002797443,0.0007562809,0.0001729295,0.0009267787,0.0003639402,0.005108164,0.9570683,0.002805392,0.01268109,0.01455236],"study_design_scores_gemma":[0.00301639,0.00240114,0.05310127,0.0001773389,0.000369677,0.00333986,0.0007882538,0.04166955,0.7815408,0.001285677,0.1121108,0.0001991935],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9754733,0.01111342,0.00205756,0.001295069,0.0001544834,0.00006961234,0.002933961,0.0002868552,0.006615702],"genre_scores_gemma":[0.966388,0.004771342,0.007455527,0.0004642012,0.00006626278,0.00007501571,0.01175394,0.00009686891,0.008928874],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004579778,"threshold_uncertainty_score":0.009106278,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009236496738010379,"score_gpt":0.2552192491753613,"score_spread":0.2459827524373509,"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."}}