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
CEFIXIME

CEFIXIME


ATC J01DD08

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
CEPHALOSPORINS

ORAL

Cmax 4.41 MICROMOLAR

F 45 PERCENT

VD 15.6 LITER (65 KILOGRAM)

PPB 65 PERCENT

Cl 3.9 LITER / HOUR (65 KILOGRAM)

HT 4 HOUR

PENICILLIN-BINDING PROTEINS 1A/1B

PDB 4KOU (CRYSTAL STRUCTURE OF A GNAT SUPERFAMILY ACETYLTRANSFERASE PA4794 IN COMPLEX WITH CEFIXIME)

LIGAND CODE = C04 (link to the list of PDB complexes)

Download experimental 3D coordinates of C04 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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SIDER side effects

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ChEMBL
BindingDB
DrugBank



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