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
CEFUROXIME (is an active metabolite)

CEFUROXIME


ATC J01DC02
ATC S01AA27
ATC J01RA03

ANTIINFECTIVES
ANTIBIOTIC
ANTIBACTERIAL
CEPHALOSPORINS

INTRAMUSCULAR INTRAVENOUS INJECTION

Cmax 32 MICROMOLAR (1 GRAM)

Tmax 2.5 HOUR

VD 9.7 LITER (65 KILOGRAM)

PPB 50 PERCENT

Cl 8.6 LITER / HOUR (65 KILOGRAM)

HT 1.3 HOUR

PENICILLIN-BINDING PROTEINS 1A/1B

PDB 4KOV (CRYSTAL STRUCTURE OF A GNAT SUPERFAMILY ACETYLTRANSFERASE PA4794 IN COMPLEX WITH CEFUROXIME)

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

Download experimental 3D coordinates of KOV 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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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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