Cheminformatic Tools and Databases for Pharmacology

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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
OMACETAXINE MEPESUCCINATE

OMACETAXINE MEPESUCCINATE


ATC L01XX40

ANTINEOPLASTIC
TREATMENT OF CHRONIC MYELOID LEUKEMIA (CML)
PROTEIN SYNTHESIS INHIBITOR
OMACETAXINE MEPESUCCINATE BINDS TO THE A-SITE CLEFT IN THE PEPTIDYL-TRANSFERASE CENTER OF THE LARGE RIBOSOMAL SUBUNIT FROM A STRAIN OF ARCHAEABACTERIA
HYDROLYZED TO 4-DMHHT VIA PLASMA ESTERASES

SUBCUTANEOUS

VD 141 LITER

PPB 50 PERCENT

Cl 16.3 LITER / HOUR (EQN)

HT 6 HOUR

RIBOSOME

PDB OBSOLETE (- 4UL7 CRYSTAL STRUCTURE OF HOMOHARRINGTONINE BOUND TO THE YEAST 80S RIBOSOME)

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

Download experimental 3D coordinates of HMT with added hydrogens

PROTEIN SYNTHESIS INHIBITORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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