2Y82: Structure And Property Based Design Of Factor Xa Inhibitors: Pyrrolidin-2-Ones With Aminoindane And Phenylpyrrolidine P4 Motifs

Citation:
Abstract
The rational design, syntheses and evaluation of potent sulfonamidopyrrolidin-2-one-based factor Xa inhibitors incorporating aminoindane and phenylpyrrolidine P4 motifs are described. These series delivered highly potent anticoagulant compounds with excellent oral pharmacokinetic profiles; however, significant time dependant P450 inhibition was an issue for the aminoindane series, but this was not observed with the phenylpyrrolidine motif, which produced candidate quality molecules with potential for once-daily oral dosing in humans.
PDB ID: 2Y82Download
MMDB ID: 89160
PDB Deposition Date: 2011/2/2
Updated in MMDB: 2011/05
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 2Y82: dimeric; determined by author and by software (PISA)
Molecular Components in 2Y82
Label Count Molecule
Proteins (2 molecules)
1
Activated Factor XA Heavy Chain(Gene symbol: F10)
Molecule annotation
1
Factor X Light Chain(Gene symbol: F10)
Molecule annotation
Chemicals (3 molecules)
1
1
2
1
3
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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