Cheminformatic Tools and Databases for Pharmacology

session 6713 - 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 TRANSFERASEEMA

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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