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| 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 | |||
| FLUOROURACIL (is an active metabolite) (has an active metabolite)
| FLUOROURACIL | ANTINEOPLASTIC | INJECTION TOPICAL | Cmax 88.3 NANOMOLAR Tmax 1.03 HOUR VD 14.9 LITER (65 KILOGRAM) PPB 85 PERCENT Cl 101.4 LITER / HOUR (65 KILOGRAM) HT 0.12 HOUR SOLUBILITY SPARINGLY SOLUBLE IN WATER | DIHYDROPYRIMIDINE DEHYDROGENASE [NADP+] PDB 3KVR (TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS) LIGAND CODE = URF (link to the list of PDB complexes) Download experimental 3D coordinates of URF with added hydrogens | THYMIDYLATE SYNTHASE INHIBITOR CHEMBL1952 THYMIDYLATE SYNTHASE P04818 THYMIDYLATE SYNTHASE HOMO SAPIENS ENZYME TRANSFERASE | 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 FLUOROURACIL (is an active metabolite)
| FLUOROURACIL | ANTINEOPLASTIC | - | THYMIDYLATE SYNTHASE (TS) PDB 3H9K (STRUCTURES OF THYMIDYLATE SYNTHASE R163K WITH SUBSTRATES AND INHIBITORS SHOW SUBUNIT ASYMMETRY) LIGAND CODE = UFP (link to the list of PDB complexes) Download experimental 3D coordinates of UFP with added hydrogens | THYMIDYLATE SYNTHASE INHIBITOR CHEMBL1952 THYMIDYLATE SYNTHASE P04818 THYMIDYLATE SYNTHASE HOMO SAPIENS ENZYME TRANSFERASE | EMA | ||||
