{"id":"W4366976795","doi":"10.1021/acs.jmedchem.2c02005","title":"Identification of Binding Sites in the Nucleotide-Binding Domain of P-Glycoprotein for a Potent and Nontoxic Modulator, the Amine-Containing Monomeric Flavonoid <b>FM04</b>","year":2023,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Drug Transport and Resistance Mechanisms","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Hong Kong Polytechnic University; Society of Hong Kong Scholars; Research Grants Council, University Grants Committee; Ministry of Human Resources and Social Security; National Natural Science Foundation of China","keywords":"Chemistry; Stereochemistry; Binding site; Cyclic nucleotide-binding domain; Nucleotide; Molecular model; Monomer; Molecular recognition; Biochemistry; Molecule","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":[0.0001224446,0.0001707358,0.0001600475,0.0001130363,0.0001104323,0.0001274703,0.0001895574,0.000400671,0.0008304889],"category_scores_gemma":[0.0001138983,0.00007978226,0.0002139316,0.00006222221,0.0001308258,0.0001234358,0.00009073704,0.0003338101,0.0002009003],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002302976,"about_ca_system_score_gemma":0.0001323067,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005886551,"about_ca_topic_score_gemma":0.0006468071,"domain_scores_codex":[0.9999419,0.00001442428,0.000002926844,0.00001400862,0.00001713494,0.00000943981],"domain_scores_gemma":[0.9999505,0.00001109338,0.00001576422,0.000005294309,0.000008938566,0.000008393338],"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":[0.00005970722,0.00002314386,0.0001802005,0.00001985743,0.000004129352,0.00003591551,0.000004289873,0.0001101153,0.9974622,0.00006664068,0.00002364275,0.002010179],"study_design_scores_gemma":[0.0000313955,0.0004461232,0.001792783,0.000002945333,0.00001258672,0.000256451,0.000006296928,0.001796631,0.994006,0.00004958849,0.001594149,0.000005070041],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9863474,0.002843624,0.008811387,0.0001504043,0.00001369415,0.0000869884,0.0001424032,0.00004628413,0.001557827],"genre_scores_gemma":[0.9846616,0.0006071886,0.01375737,0.00007840245,0.000007389075,0.00002266197,0.0001658076,0.000006404769,0.0006932426],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008304889,"threshold_uncertainty_score":0.002778292,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01608419027304102,"score_gpt":0.2668318294696289,"score_spread":0.2507476391965879,"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."}}