{"id":"W3006170201","doi":"10.1016/j.bioorg.2020.103669","title":"X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX","year":2020,"lang":"en","type":"article","venue":"Bioorganic Chemistry","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Deanship of Scientific Research, King Saud University; Ontario Ministry of Research, Innovation and Science; Prince Sattam bin Abdulaziz University; Unitatea Executiva pentru Finantarea Invatamantului Superior, a Cercetarii, Dezvoltarii si Inovarii; Corporation for National and Community Service","keywords":"Chemistry; Adduct; Carbonic anhydrase; Enzyme; In vitro; Stereochemistry; Molecule; Gene isoform; Biochemistry; Organic chemistry; 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":[0.0001864313,0.0003942112,0.0005121571,0.0002122841,0.0004970763,0.0005531863,0.001322763,0.0006129602,0.005716273],"category_scores_gemma":[0.0003341668,0.0002725672,0.0002261688,0.0004026247,0.0002953336,0.0002571422,0.0002399711,0.001673701,0.0006407938],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001550681,"about_ca_system_score_gemma":0.001014788,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01830659,"about_ca_topic_score_gemma":0.01277732,"domain_scores_codex":[0.9998509,0.0000136321,0.000008550198,0.00002839602,0.00005283112,0.0000457169],"domain_scores_gemma":[0.9999034,0.00003746591,0.00001592267,0.000006950381,0.00001474421,0.00002138085],"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":[0.006140327,0.001280032,0.01179863,0.00149059,0.000501905,0.01003813,0.001723692,0.03500538,0.8362269,0.02018182,0.02956841,0.04604404],"study_design_scores_gemma":[0.0005892052,0.0006212899,0.02792618,0.0001649012,0.0001645278,0.001995064,0.0008511827,0.04299322,0.8759694,0.0008683823,0.04773185,0.0001247149],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9739038,0.002530987,0.002412424,0.001244286,0.0002082948,0.00004340841,0.00265595,0.0003255578,0.01667532],"genre_scores_gemma":[0.9761587,0.002419773,0.002809997,0.0002115177,0.00002779256,0.00003175185,0.004344126,0.00006661509,0.01392977],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01830659,"threshold_uncertainty_score":0.03640008,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006485241198023501,"score_gpt":0.1845495957411744,"score_spread":0.1780643545431509,"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."}}