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
RIFAMYCIN

RIFAMYCIN


ATC J04AB03
ATC S01AA16
ATC S02AA12
ATC A07AA13
ATC D06AX15

ANTIINFECTIVES
TREATMENT OF TRAVELERS DIARRHEA CAUSED BY NONINVASIVE STRAINS OF ESCHERICHIA COLI
ANSAMYCIN OF ANTIBACTERIAL DRUGS

ORAL

Cmax 12.5 NANOMOLAR

Tmax 6 HOUR

F 0.1 PERCENT

PPB 80 PERCENT

SOLUBILITY SOLUBLE IN WATER

BETA-SUBUNIT DNA-DEPENDENT RNA POLYMERASE

PDB 6BEB (CRYSTAL STRUCTURE OF VACV D13)

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

Download experimental 3D coordinates of RFV with added hydrogens

Transporter ABCBB_HUMAN O95342 Solute carrier organic anion transporter SO1A2_HUMAN P46721 SO1B1_HUMAN Q9Y6L6ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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