Cheminformatic Tools and Databases for Pharmacology

session 75983 - Total of 2 hits - Display   hits per page:

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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
CEFTOBIPROLE (is an active metabolite)

CEFTOBIPROLE MEDOCARIL


ATC J01DI01

ANTIINFECTIVES
CEPHALOSPORIN ANTIBACTERIAL
TREATMENT OF STAPHYLOCOCCUS AUREUS BLOODSTREAM INFECTIONS
INHIBITION OF BACTERIAL CELL WALL SYNTHESIS
INHIBITION OF TRANSPEPTIDASE ACTIVITY

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Cmax 61.7 MICROMOLAR

VD 18 LITER

PPB 16 PERCENT

Cl 4.98 LITER / HOUR

HT 3.3 HOUR

PENICILLIN-BINDING PROTEINS (PBPS)

PDB 6VJE (CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PENICILLIN-BINDING PROTEIN 3 (PBP3) COMPLEXED WITH CEFTOBIPROLE)

LIGAND CODE = RB6 (link to the list of PDB complexes)

Download experimental 3D coordinates of RB6 with added hydrogens

MecA UNIPROT Q7DHH4

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 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
CEFTOBIPROLE MEDOCARIL (has an active metabolite)

CEFTOBIPROLE MEDOCARIL


ATC J01DI01

ANTIINFECTIVES
CEPHALOSPORIN ANTIBACTERIAL
TREATMENT OF STAPHYLOCOCCUS AUREUS BLOODSTREAM INFECTIONS
INHIBITION OF BACTERIAL CELL WALL SYNTHESIS
INHIBITION OF TRANSPEPTIDASE ACTIVITY

INTRAVENOUS PENICILLIN-BINDING PROTEINS (PBPS)

MecA UNIPROT Q7DHH4 mecA

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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