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
LEFAMULIN

LEFAMULIN


ATC J01XX12

ANTIINFECTIVES
PLEUROMUTILIN ANTIBACTERIAL
TREATMENT OF BACTERIAL PNEUMONIA (CABP)
INTERACTS WITH A- AND P-SITES OF THE PEPTIDYL TRANSFERASE CENTER (PTC) IN DOMAIN V OF THE 23S RRNA OF THE 50S SUBUNIT

ORAL INTRAVENOUS

Cmax 7 MICROMOLAR

Tmax 1.4 HOUR

F 25 PERCENT

VD 86.1 LITER

PPB 94.8 PERCENT

Cl 11.9 LITER / HOUR

HT 8 HOUR

RIBOSOMAL SUBUNIT 50S

PDB 5HL7 (THE CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT OF STAPHYLOCOCCUS AUREUS IN COMPLEX WITH LEFAMULIN)

LIGAND CODE = 62B (link to the list of PDB complexes)

Download experimental 3D coordinates of 62B with added hydrogens

50S ribosomal protein inhibitorEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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