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
BROMFENAC

BROMFENAC


ATC S01BC11

SENSORY
ANALGESIC
ANTI-INFLAMMATORY AGENTS NON-STEROIDAL

OPHTHALMIC

VD 7.15 LITER (65 KILOGRAM)

PPB 99 PERCENT

Cl 5 LITER / HOUR (65 KILOGRAM)

HT 2.6 HOUR

PROSTAGLANDIN G/H SYNTHASE 1
PROSTAGLANDIN G/H SYNTHASE 2

PDB 4MJQ (E. COLI SLIDING CLAMP IN COMPLEX WITH BROMFENAC)

LIGAND CODE = 27R (link to the list of PDB complexes)

Download experimental 3D coordinates of 27R with added hydrogens

CYCLOOXYGENASE INHIBITOR CHEMBL2094253 CYCLOOXYGENASE P23219 PROSTAGLANDIN G/H SYNTHASE 1 HOMO SAPIENS ENZYME REDUCTASEEMA

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SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
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