Thermodynamic inhibition profile of a cyclopentyl and a cyclohexyl derivative towards thrombin: the same but for different reasons.
Gerlach
Christof
C
Institut für Pharmazeutische Chemie, Philipps-Universität Marburg, Marbacher Weg 6, 35032 Marburg, Germany.
Smolinski
Michael
M
Steuber
Holger
H
Sotriffer
Christoph A
CA
Heine
Andreas
A
Hangauer
David G
DG
Klebe
Gerhard
G
D001384:Azetidines / Q000737:chemistry*; D001596:Benzylamines / Q000737:chemistry*; D002151:Calorimetry / Q000379:methods; D002621:Chemistry / Q000379:methods*; D002626:Chemistry, Pharmaceutical / Q000379:methods; D018360:Crystallography, X-Ray / Q000379:methods*; D003510:Cyclohexanes / Q000737:chemistry; D003517:Cyclopentanes / Q000737:chemistry; D015195:Drug Design; D006801:Humans; D007700:Kinetics; D008024:Ligands; D008956:Models, Chemical; D008968:Molecular Conformation; D013816:Thermodynamics; D013917:Thrombin / Q000037:antagonists & inhibitors* / Q000737:chemistry
D001384:Azetidines; D001596:Benzylamines; D003510:Cyclohexanes; D003517:Cyclopentanes; D008024:Ligands; C109573:melagatran; C506365:Cyclohexane; D013917:Thrombin