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
NEOMYCIN

NEOMYCIN


ATC A01AB08
ATC A07AA01
ATC B05CA09
ATC D06AX04
ATC J01GB05
ATC R02AB01
ATC S01AA03
ATC S02AA07
ATC S03AA01
ATC A07AA51

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC

OPHTHALMIC TOPICAL OTIC ORAL IRRIGATION 30S RIBOSOMAL RNA

PDB 4V9C (ALLOSTERIC CONTROL OF THE RIBOSOME BY SMALL-MOLECULE ANTIBIOTICS)

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

Download experimental 3D coordinates of NMY with added hydrogens

BACTERIAL 70S RIBOSOME INHIBITOR CHEMBL2363135 BACTERIAL 70S RIBOSOME 16S RIBOSOMAL RNA BACTERIAEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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