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
BLEOMYCIN

BLEOMYCINNATURAL MOLECULE (link)


ATC L01DC01

ANTINEOPLASTIC
CYTOTOXIC GLYCOPEPTIDE ANTIBIOTICS ISOLATED FROM A STRAIN OF STREPTOMYCES VERTICILLUS
SEQUENCE SELECTIVE CLEAVAGE OF DNA (PMID25187079)

INJECTION

F 72.5 PERCENT

VD 30.2 LITER

Cl 5.2 LITER / HOUR

HT 2 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

DNA

PDB 1JIE (BLEOMYCIN-BINDING PROTEIN FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS)

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

Download experimental 3D coordinates of BLM 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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