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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 | |||
| GEMCITABINE (has an active metabolite)
| GEMCITABINE | ANTINEOPLASTIC | INJECTION INTRAVENOUS | VD 80 LITER PPB 0 PERCENT Cl 88 LITER / HOUR HT 1 HOUR SOLUBILITY SOLUBLE IN WATER | DEOXYCYTIDINE KINASE PDB 2NO0 (C4S DCK VARIANT OF DCK IN COMPLEX WITH GEMCITABINE+ADP) LIGAND CODE = GEO (link to the list of PDB complexes) Download experimental 3D coordinates of GEO with added hydrogens | 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 GEMCITABINE (is an active metabolite)
| GEMCITABINE | ANTINEOPLASTIC | - | DEOXYCYTIDINE KINASE PDB 2EUD (STRUCTURES OF YEAST RIBONUCLEOTIDE REDUCTASE I COMPLEXED WITH LIGANDS AND SUBUNIT PEPTIDES) LIGAND CODE = GCQ (link to the list of PDB complexes) Download experimental 3D coordinates of GCQ with added hydrogens | THYMIDYLATE SYNTHASE P04818 THYMIDYLATE SYNTHASE HOMO SAPIENS ENZYME TRANSFERASE | EMA | ||||
| 3 | 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 GEMCITABINE (is an active metabolite)
| GEMCITABINE | ANTINEOPLASTIC | - | DEOXYCYTIDINE KINASE PDB 3MDC (DNA POLYMERASE LAMBDA IN COMPLEX WITH DFDCTP) LIGAND CODE = GTF (link to the list of PDB complexes) Download experimental 3D coordinates of GTF with added hydrogens | THYMIDYLATE SYNTHASE P04818 THYMIDYLATE SYNTHASE HOMO SAPIENS ENZYME TRANSFERASE | EMA | ||||
