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
M CYTARABINE (is an active metabolite)

CYTARABINE


ATC L01BC01
ATC L01XY01

ANTINEOPLASTIC

ANTIMETABOLITES

- DNA POLYMERASE

PDB 6DW3 (SAMHD1 BOUND TO CYTARABINE-TP IN THE CATALYTIC POCKET)

LIGAND CODE = HF4 (link to the list of PDB complexes)

Download experimental 3D coordinates of HF4 with added hydrogens

DNA polymerase (alpha,delta,epsilon) UNIPROT P09884 POLA1

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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