Cheminformatic Tools and Databases for Pharmacology

session 13323 - Total of 1 hits - Display   hits per page:

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1 INNClassRoute (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 complexTargets from DrugCentral Links
M FLUOROURACIL (is an active metabolite)

FLUOROURACIL


ATC L01BC02
ATC L01BC52

ANTINEOPLASTIC
BREAST CANCER
COLORECTAL CANCER
COLON CANCER
ANTIMETABOLITES
NUCLEOSIDE METABOLIC INHIBITOR
INHIBITS THE FORMATION OF THYMIDYLATE FROM 2’-DEOXYURIDYLATE

- 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 TRANSFERASEANSM (in French)

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