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Table 1 Drugs used to construct test set for docking with their proposed HLA-association

From: Adverse drug reactions triggered by the common HLA-B*57:01 variant: a molecular docking study

Generic name Brand name DBID Indication ADR HLA
Abacavir Zaigen DB01048 HIV antiviral Hypersensitivity B*57:01
Allopurinol Zyloprim DB00437 Uric acid inhibitor SCAR B*58:01
Atorvastatin Lipitor DB01076 High cholesterol Hypercholesterolemia cardiac heart disease DRB1*10:10a
Carbamazepine Tegretol DB00564 Seizures bipolar disorder SJS/TEN B*15:02
Ciprofloxacin Cipro DB00537 Antibiotic Gastrointestinal irritation B*50:02a
Clozapine Clozaril DB00363 Antipsychotic Agranulocytosis DRB5*02:01
Fenofibrate Tricor DB01039 High cholesterol Acute Generalized Exanthematous Pustutosis (AGEP) A*33:01a
Flucloxacillin Floxapen DB00301 Antibiotic DILI B*57:01
Methyldopa Aldomet DB00968 Anti-hypertensive N/A A*33:01a
Minocycline Minocin DB01017 Antimicrobial Thyroid hyperplasia B*35:02a
Pazopanib Votrient DB06589 Chemotherapy DILI ALT concentration increase B*57:01
Sertraline Zoloft DB01104 PTSD/OCD Serotonin syndrome A*33:01a
Simvastatin Zocor DB00641 High cholesterol Myalgia arthralgia B*13:02a
Ticlopidine Ticlid DB00208 Thrombotic stroke Agranulocytosis aplastic anemia neutropemia A*33:01
  1. aPutative; data not published