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
EFAVIRENZ

EFAVIRENZ


ATC J05AG03
ATC J05AR06
ATC J05AR11

ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV
HIV-1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR

ORAL

Cmax 5.35 MICROMOLAR

Tmax 5 HOUR

PPB 99.6 PERCENT

HT 64 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

HIV-1 REVERSE TRANSCRIPTASE

PDB 6BSJ (STRUCTURE OF HIV-1 RT COMPLEXED WITH AN RNA/DNA HYBRID SEQUENCE NON-PREFERRED FOR RNA HYDROLYSIS)

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

Download experimental 3D coordinates of EFZ with added hydrogens

GAG-POL POLYPROTEIN P03369 GAG-POL POLYPROTEIN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 GROUP M SUBTYPE B (ISOLATE ARV2/SF2) UNCLASSIFIEDEMA

ANSM (in French)

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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