| | ||||||||||
| 1 | INN | Class | Route (list) | PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693) | Primary Target and PDB code of Protein-Drug complex | Targets from DrugCentral | Links | |||
| ASPIRIN (has an active metabolite)
| ASPIRIN |
NERVOUS SYSTEM | ORAL | Cmax 1.77 MICROMOLAR VD 10 LITER PPB 32 PERCENT Cl 27.7 LITER / HOUR (EQN) HT 0.25 HOUR SOLUBILITY SLIGHTLY SOLUBLE IN WATER | PROSTAGLANDIN G/H SYNTHASE 1 PROSTAGLANDIN G/H SYNTHASE 2 PDB 4NSB (CRYSTAL STRUCTURE OF THE COMPLEX OF SIGNALING GLYCOPROTEIN, SPB-40 AND N-ACETYL SALICYLIC ACID AT 3.05 A RESOLUTION) LIGAND CODE = AIN (link to the list of PDB complexes) Download experimental 3D coordinates of AIN with added hydrogens | Prostaglandin G,H synthase 2 UNIPROT P35354 PTGS2 -- Prostaglandin G,H synthase 1 UNIPROT P23219 PTGS1 more at DrugCentral | EMA | |||
| 2 | INN | Class | Route (list) | PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693) | Primary Target and PDB code of Protein-Drug complex | Targets from DrugCentral | Links | |||
| M ASPIRIN (is an active metabolite)
| ASPIRIN | NATURAL MOLECULE (link)
NERVOUS SYSTEM | - | PPB 90 PERCENT HT 6 HOUR | PROSTAGLANDIN G/H SYNTHASE 1 PROSTAGLANDIN G/H SYNTHASE 2 PDB 2FN1 (CRYSTAL STRUCTURES OF YERSINIA ENTEROCOLITICA SALICYLATE SYNTHASE (IRP9) IN COMPLEX WITH THE REACTION PRODUCTS SALICYLATE AND PYRUVATE) LIGAND CODE = SAL (link to the list of PDB complexes) Download experimental 3D coordinates of SAL with added hydrogens | Prostaglandin G,H synthase 2 UNIPROT P35354 PTGS2 -- Prostaglandin G,H synthase 1 UNIPROT P23219 PTGS1 more at DrugCentral | EMA | |||
