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
PENICILLIN G

PENICILLIN G


ATC J01CE01
ATC S01AA14

ANTIINFECTIVES
ANTIBACTERIAL
PENICILLINS
ANTIBIOTIC

ORAL INJECTION INTRAMUSCULAR INTRAVENOUS

Cmax 134.7 MICROMOLAR

VD 15 LITER (65 KILOGRAM)

PPB 60 PERCENT

Cl 24.8 LITER / HOUR (65 KILOGRAM)

HT 0.7 HOUR

SOLUBILITY VERY SLIGHTLY SOLUBLE IN WATER

PENICILLIN-BINDING PROTEINS 1A/1B

PDB 1UOB (DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH 2-OXOGLUTARATE AND PENICILLIN G)

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

Download experimental 3D coordinates of PNN with added hydrogens

BACTERIAL PENICILLIN-BINDING PROTEIN INHIBITOR CHEMBL2354204 BACTERIAL PENICILLIN-BINDING PROTEIN P02918 PENICILLIN-BINDING PROTEIN 1A BACTERIA ENZYME PROTEASE SERINE UNCLASSIFIEDANSM (in French)

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