title: Structure-activity and crystallographic analysis of a new class of non-amide-based thrombin inhibitor.
abstract: The structure activity relationships of a novel series of non-amide-based thrombin inhibitors are described. Exploration of the P2 and the aryl binding region for this series has identified optimal groups for achieving nanomolar potency. The binding modes of these optimal groups have been confirmed by X-ray structural analysis.
authors.affiliation: 3-Dimensional Pharmaceutical, Inc., Eagleview Corporate Center, Exton, PA 19341, USA.
authors.forename: T
authors.initials: T
authors.lastname: Lu
authors.forename: R M
authors.initials: RM
authors.lastname: Soll
authors.forename: C R
authors.initials: CR
authors.lastname: Illig
authors.forename: R
authors.initials: R
authors.lastname: Bone
authors.forename: L
authors.initials: L
authors.lastname: Murphy
authors.forename: J
authors.initials: J
authors.lastname: Spurlino
authors.forename: F R
authors.initials: FR
authors.lastname: Salemme
authors.forename: B E
authors.initials: BE
authors.lastname: Tomczuk
mesh_terms: D000577:Amides / Q000737:chemistry; D000991:Antithrombins / Q000737:chemistry* / Q000494:pharmacology*; D001190:Arylsulfonates / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D010880:Piperidines / Q000737:chemistry* / Q000494:pharmacology*; D015842:Serine Proteinase Inhibitors / Q000737:chemistry / Q000145:classification / Q000494:pharmacology; D013329:Structure-Activity Relationship; D013917:Thrombin / Q000037:antagonists & inhibitors*
chemical_list: D000577:Amides; D000991:Antithrombins; D001190:Arylsulfonates; D010880:Piperidines; D015842:Serine Proteinase Inhibitors; D013917:Thrombin