Cheminformatic Tools and Databases for Pharmacology

session 5390 - Total of 1 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
TEMSAVIR (is an active metabolite)

TEMSAVIR


ATC J05AX29

ANTIINFECTIVES
A HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) GP120-DIRECTED ATTACHMENT INHIBITOR
ANTIRETROVIRAL

-

Cmax 3.74 MICROMOLAR

Tmax 2 HOUR

F 26.9 PERCENT

VD 29.5 LITER

PPB 88.4 PERCENT

Cl 66.4 LITER / HOUR

HT 11 HOUR

HIV-1 GP120

PDB 5U7O (CRYSTAL STRUCTURE OF HIV-1 BG505 SOSIP.664 PREFUSION ENV TRIMER BOUND TO SMALL MOLECULE HIV-1 ENTRY INHIBITOR BMS-626529 IN COMPLEX WITH HUMAN ANTIBODIES PGT122 AND 35O22 AT 3.8 ANGSTROM)

LIGAND CODE = 83J (link to the list of PDB complexes)

Download experimental 3D coordinates of 83J with added hydrogens

Unknown - more at DrugCentralANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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