Cheminformatic Tools and Databases for Pharmacology

session 92597 - 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
BOSUTINIB

BOSUTINIB


ATC L01XE14

ANTINEOPLASTIC
TYROSINE KINASE INHIBITOR
TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML)

ORAL

Cmax 0.37 MICROMOLAR

VD 6080 LITER

PPB 94 PERCENT

Cl 189 LITER / HOUR

HT 22.5 HOUR

SOLUBILITY ABOVE PH 5 THE SOLUBILITY OF BOSUTINIB MONOHYDRATE REDUCES RAPIDLY

BCR-ABL

PDB 4OTW (HER3 PSEUDOKINASE DOMAIN BOUND TO BOSUTINIB)

LIGAND CODE = DB8 (link to the list of PDB complexes)

Download experimental 3D coordinates of DB8 with added hydrogens

TYROSINE-PROTEIN KINASE ABL INHIBITOR CHEMBL1862 TYROSINE-PROTEIN KINASE ABL P00519 TYROSINE-PROTEIN KINASE ABL1 HOMO SAPIENS ENZYME KINASE PROTEIN KINASE TK ABLANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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