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
AZELAIC ACID

AZELAIC ACID


ATC D10AX03

DERMATOLOGICALS
ANTIMICROBIAL
INHIBITION OF MICROBIAL CELLULAR PROTEIN SYNTHESIS

TOPICAL

Cmax 335 NANOMOLAR

F 4 PERCENT

HT 0.75 HOUR

SOLUBILITY POORLY SOLUBLE IN WATER

DIAMINOPIMELATE DECARBOXYLASE

PDB 1TUF (CRYSTAL STRUCTURE OF DIAMINOPIMELATE DECARBOXYLASE FROM M. JANNASCHI)

LIGAND CODE = AZ1 (link to the list of PDB complexes)

Download experimental 3D coordinates of AZ1 with added hydrogens

3-oxo-5-alpha-steroid 4-dehydrogenase 2 P31213 (S5A2_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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