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
SULBACTAM

SULBACTAM


ATC J01CG01

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
BETA-LACTAMASE INHIBITORS

INJECTION

Cmax 871 MICROMOLAR (446 MICROGRAM / KILOGRAM)

VD 20.8 LITER (65 KILOGRAM)

PPB 38 PERCENT

Cl 19.8 LITER / HOUR (65 KILOGRAM)

HT 1 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

BETA-LACTAMASE

PDB 4FH2 (STRUCTURE OF S70C BETA-LACTAMASE BOUND TO SULBACTAM)

LIGAND CODE = 0RN (link to the list of PDB complexes)

Download experimental 3D coordinates of 0RN with added hydrogens

BACTERIAL BETA-LACTAMASE TEM INHIBITOR CHEMBL2364670 BACTERIAL BETA-LACTAMASE TEM P62593 BETA-LACTAMASE TEM BACTERIA ENZYME HYDROLASEANSM (in French)

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