1WU1: Factor Xa In Complex With The Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]carbonyl]piperazine

Compound 7 was identified as the active metabolite of 6 by HPLC and mass spectral analysis. Modification of lead compound 7 by transformation of its N-oxide 6-6 biaryl ring system and fused aromatics produced a series of non-basic fXa inhibitors with excellent potency in anti-fXa and anticoagulant assays. The optimized compounds 73b and 75b showed sub to one digit micromolar anticoagulant activity (PTCT2). Particularly, anti-fXa activity was detected in plasma of rats orally administered with 1mg/kg of compound 75b.
PDB ID: 1WU1Download
MMDB ID: 35866
PDB Deposition Date: 2004/11/29
Updated in MMDB: 2005/12
Experimental Method:
x-ray diffraction
Resolution: 2.3  Å
Source Organism:
Similar Structures:
Biological Unit for 1WU1: dimeric; determined by author
Molecular Components in 1WU1
Label Count Molecule
Proteins (2 molecules)
Coagulation Factor X, Heavy Chain(Gene symbol: F10)
Molecule annotation
Coagulation Factor X, Light Chain(Gene symbol: F10)
Molecule annotation
Chemicals (3 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB