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
NOVOBIOCIN DISCONTINUED

NOVOBIOCINNATURAL MOLECULE (link)

ANTIINFECTIVES
COUMARIN
ANTIBIOTIC
ANTIBACTERIAL
NUCLEIC ACID SYNTHESIS INHIBITORS

ORAL DNA GYRASE SUBUNIT B

PDB 4URO (CRYSTAL STRUCTURE OF STAPH GYRASEB 24KDA IN COMPLEX WITH NOVOBIOCIN)

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

Download experimental 3D coordinates of NOV with added hydrogens

DNA gyrase UNIPROT Q5HK03 gyrB

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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