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
PLICAMYCIN DISCONTINUED

PLICAMYCINNATURAL MOLECULE (link)


ATC L01DC02

ANTINEOPLASTIC
CYTOTOXIC ANTIBIOTICS PRODUCED BY STREPTOMYCES ARGILLACEUS

INJECTION

PDB 6VGG (CRYSTAL STRUCTURE OF THE DNA BINDING DOMAINS OF HUMAN TRANSCRIPTION FACTOR ERG, HUMAN RUNX2 BOUND TO CORE BINDING FACTOR BETA (CBFB), AND MITHRAMYCIN, IN COMPLEX WITH 16MER DNA CAGAGGATGTGGCTTC)

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

Download experimental 3D coordinates of QWP with added hydrogens

DNA INHIBITOR CHEMBL2311221 DNA HOMO SAPIENSANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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