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) INHIBITOR CHEMBL2363042 DNA POLYMERASE (ALPHA/DELTA/EPSILON) P09884 DNA POLYMERASE ALPHA CATALYTIC SUBUNIT HOMO SAPIENS ENZYME TRANSFERASEANSM (in French)

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