Cheminformatic Tools and Databases for Pharmacology

session 66874 - Total of 3 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
AMPICILLIN (is an active metabolite)

AMPICILLIN


ATC J01CA01
ATC S01AA19
ATC J01CR01
ATC J01CA51

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
PENICILLINS
INHIBITION OF CELL WALL MUCOPEPTIDE BIOSYNTHESIS BUT DEGRADED BY BETA-LACTAMASES

INJECTION INTRAVENOUS ORAL

Cmax 429 MICROMOLAR (2 GRAM IV)

Tmax 0.25 HOUR

VD 14 LITER (65 KILOGRAM)

PPB 28 PERCENT

Cl 10.9 LITER / HOUR (65 KILOGRAM)

HT 1 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

PENICILLIN-BINDING PROTEINS 1A/1B

PDB 3NDV (CRYSTAL STRUCTURE OF THE N-TERMINAL BETA-AMINOPEPTIDASE BAPA IN COMPLEX WITH AMPICILLIN)

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

Download experimental 3D coordinates of AIC 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)

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
BACAMPICILLIN DISCONTINUED (has an active metabolite)

BACAMPICILLIN


ATC J01CA06

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
PENICILLIN

ORAL PENICILLIN-BINDING PROTEINS 1A/1B

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

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

3 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
BACAMPICILLIN DISCONTINUED (has an active metabolite)

BACAMPICILLIN


ATC J01CA06

ANTIINFECTIVES
ANTIBACTERIAL
ANTIBIOTIC
PENICILLIN

ORAL PENICILLIN-BINDING PROTEINS 1A/1B

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

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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