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
HISTAMINE DISCONTINUED

HISTAMINENATURAL MOLECULE (link)


ATC V04CG03

DIAGNOSTIC AID
HISTAMINE RECEPTOR AGONIST
ACUTE MYELOID LEUKAEMIA (DRUG FOR RARE DISEASE IN EUROPE)

INJECTION

Cmax 38 NANOMOLAR (PMID12092744)

Tmax 0.3 HOUR

VD 59 LITER

Cl 210 LITER / HOUR

HT 0.18 HOUR

HISTAMINE RECEPTOR

PDB 1AVN (HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR)

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

Download experimental 3D coordinates of HSM with added hydrogens

Histamine H1 receptor UNIPROT P35367 HRH1

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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