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
PAMIDRONATE

PAMIDRONATE


ATC M05BA03

MUSCOLO-SKELETAL SYSTEM
ANTI-INFLAMMATORY AGENTS
ANTINEOPLASTIC AGENTS
BISPHOSPHONATES
BONE DENSITY CONSERVATION AGENTS
INHIBITOR

INJECTION

Cmax 11.1 MICROMOLAR

F 54 PERCENT

VD 258 LITER (EQN)

Cl 6.4 LITER / HOUR

HT 28 HOUR

SOLUBILITY SOLUBLE IN WATER

FARNESYL PYROPHOSPHATE SYNTHASE

PDB 5ERO (CRYSTAL STRUCTURE OF ELONGATION DOMAIN OF PHOMOPSIS AMYGDALI FUSICOCCADIENE SYNTHASE COMPLEXED WITH COBALT IONS AND PAMIDRONATE)

LIGAND CODE = 210 (link to the list of PDB complexes)

Download experimental 3D coordinates of 210 with added hydrogens

ENZYME FPPS_HUMAN INHIBITOR P14324ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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