{"id":"W2761766456","doi":"10.1021/acschembio.7b00445","title":"Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14","year":2017,"lang":"en","type":"article","venue":"ACS Chemical Biology","topic":"PARP inhibition in cancer therapy","field":"Medicine","cited_by":44,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Engineering and Physical Sciences Research Council; Wellcome Trust; Wellcome","keywords":"Allosteric regulation; Biology; Small molecule; Biochemistry; Ribose; Plasma protein binding; Cell biology; Polymerase; Protein structure; DNA; Enzyme","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":[0.0001169517,0.000314138,0.0003205903,0.0001796074,0.0001308005,0.000258239,0.0003609119,0.0003102592,0.0006334734],"category_scores_gemma":[0.00009357309,0.0001503611,0.0001929363,0.0001111512,0.0001261418,0.0001242781,0.0002058272,0.0004614251,0.0003002764],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002956641,"about_ca_system_score_gemma":0.0002421906,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004054884,"about_ca_topic_score_gemma":0.001341765,"domain_scores_codex":[0.9999347,0.000006622359,0.000004127545,0.00001457357,0.00002037097,0.00001953087],"domain_scores_gemma":[0.9999675,0.000005402076,0.000007325436,0.000003087612,0.000006680714,0.00001007481],"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":[0.00015078,0.0001636466,0.0002686715,0.00005985296,0.0000160359,0.0001664705,0.00001942094,0.0005874973,0.9874121,0.0004140016,0.0002818597,0.01045967],"study_design_scores_gemma":[0.0001344125,0.001202968,0.00158677,0.000009444337,0.00003120419,0.0006544198,0.00001395862,0.003171559,0.9850373,0.00007294306,0.00807174,0.00001320661],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9711369,0.004748787,0.01339325,0.000402916,0.00009031346,0.0003858771,0.0006537134,0.0002976114,0.00889054],"genre_scores_gemma":[0.9859761,0.002704299,0.007297903,0.0002153294,0.00001605137,0.00008972191,0.0007004657,0.0000194085,0.002980736],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006334734,"threshold_uncertainty_score":0.002145231,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01536769547589284,"score_gpt":0.3078390839036719,"score_spread":0.292471388427779,"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."}}