title: Design of novel aminopyrrolidine factor Xa inhibitors from a screening hit.
abstract: Starting from a hit identified by focused screening, 3-aminopyrrolidine factor Xa inhibitors were designed. The binding mode as determined by X-ray structural analysis as well as the pharmacokinetic behaviour of selected compounds is discussed.
authors.affiliation: F Hoffmann - La Roche Ltd, Basel, Switzerland. katrin.groebke_zbinden@roche.com
authors.forename: Katrin Groebke
authors.initials: KG
authors.lastname: Zbinden
authors.forename: Lilli
authors.initials: L
authors.lastname: Anselm
authors.forename: David W
authors.initials: DW
authors.lastname: Banner
authors.forename: Jörg
authors.initials: J
authors.lastname: Benz
authors.forename: Francesca
authors.initials: F
authors.lastname: Blasco
authors.forename: Guillaume
authors.initials: G
authors.lastname: Décoret
authors.forename: Jacques
authors.initials: J
authors.lastname: Himber
authors.forename: Bernd
authors.initials: B
authors.lastname: Kuhn
authors.forename: Narendra
authors.initials: N
authors.lastname: Panday
authors.forename: Fabienne
authors.initials: F
authors.lastname: Ricklin
authors.forename: Philippe
authors.initials: P
authors.lastname: Risch
authors.forename: Daniel
authors.initials: D
authors.lastname: Schlatter
authors.forename: Martin
authors.initials: M
authors.lastname: Stahl
authors.forename: Stefan
authors.initials: S
authors.lastname: Thomi
authors.forename: Robert
authors.initials: R
authors.lastname: Unger
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Haap
mesh_terms: D000634:Aminoquinolines / Q000737:chemistry / Q000378:metabolism / Q000493:pharmacokinetics / Q000494:pharmacology*; D000990:Antithrombin III / Q000737:chemistry / Q000378:metabolism / Q000493:pharmacokinetics / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D015951:Factor Xa / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D000634:Aminoquinolines; D000990:Antithrombin III; D015951:Factor Xa