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
AVIBACTAM

AVIBACTAM

ANTIINFECTIVES
D (OR OXA-TYPE) BETA-LACTAMASES INHIBITOR

INTRAVENOUS

Cmax 57.3 MICROMOLAR

VD 23.2 LITER

PPB 6.9 PERCENT

Cl 11.9 LITER / HOUR

HT 2.22 HOUR

BETA LACTAMASE

PDB 4S2N (OXA-48)

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

Download experimental 3D coordinates of FYG with added hydrogens

BETA-LACTAMASE P05364 BETA-LACTAMASE ENTEROBACTER CLOACAE ENZYMEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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