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
MUPIROCIN

MUPIROCINNATURAL MOLECULE (link)


ATC D06AX09
ATC R01AX06

DERMATOLOGICALS
ANTIBIOTIC
ANTIBACTERIAL

TOPICAL NASAL

HT 0.5 HOUR

ISOLEUCYL-TRNA SYNTHETASE

PDB 1FFY (INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN)

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

Download experimental 3D coordinates of MRC with added hydrogens

ISOLEUCYL-TRNA SYNTHETASE INHIBITOR CHEMBL1982 ISOLEUCYL-TRNA SYNTHETASE P41972 ISOLEUCINEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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