title: Optimization of a screening lead for factor VIIa/TF.
abstract: The structure-based design and progression of a screening lead to a 3nM factor VIIa/TF inhibitor with improved selectivity versus related enzymes is described.
authors.affiliation: Department of Medicinal Chemistry, Axys Pharmaceuticals, Inc., 385 Oyster Point Blvd., South San Francisco, CA 94080, USA. wendy_young@axyspharm.com
authors.forename: W B
authors.initials: WB
authors.lastname: Young
authors.forename: A
authors.initials: A
authors.lastname: Kolesnikov
authors.forename: R
authors.initials: R
authors.lastname: Rai
authors.forename: P A
authors.initials: PA
authors.lastname: Sprengeler
authors.forename: E M
authors.initials: EM
authors.lastname: Leahy
authors.forename: W D
authors.initials: WD
authors.lastname: Shrader
authors.forename: J
authors.initials: J
authors.lastname: Sangalang
authors.forename: J
authors.initials: J
authors.lastname: Burgess-Henry
authors.forename: J
authors.initials: J
authors.lastname: Spencer
authors.forename: K
authors.initials: K
authors.lastname: Elrod
authors.forename: L
authors.initials: L
authors.lastname: Cregar
mesh_terms: D000578:Amidines / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D001665:Binding Sites; D018360:Crystallography, X-Ray; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D015942:Factor VIIa / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D006860:Hydrogen Bonding; D008958:Models, Molecular; D010648:Phenylacetates / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D011517:Prothrombin Time; D015842:Serine Proteinase Inhibitors / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: C442367:5-(5-amidinoindol-2-yl)-6-hydroxy-3-((3-nitrophenyl)phenyl)acetic acid; D000578:Amidines; D010648:Phenylacetates; D015842:Serine Proteinase Inhibitors; D015942:Factor VIIa