Cheminformatic Tools and Databases for Pharmacology

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Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
LACTIC ACID

LACTIC ACIDNATURAL MOLECULE (link)


ATC G01AD01
ATC A07FA01
ATC A07FA51

GENITO
ANTIINFECTIVES
ANTISEPTICS
PHARMACOLOGICALLY INACTIVE SOLUTION

INJECTION VAGINAL AMINO-ACID OXIDASE
BIFUNCTIONAL PROTEIN PUTA
PROLINE DEHYDROGENASE

PDB 2W11 (STRUCTURE OF THE L-2-HALOACID DEHALOGENASE FROM SULFOLOBUS TOKODAII)

LIGAND CODE = 2OP (link to the list of PDB complexes)

Download experimental 3D coordinates of 2OP with added hydrogens

PH LOWERING AGENTANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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