2q1j

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spinqualitylabelsall models PDB ID 2q1j Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
, resolution 1.90Å
Ligands:	and
Activity:	Coagulation factor Xa, with EC number 3.4.21.6
Coordinates:	save as pdb, mmCIF, xml

The discovery of glycine and related amino acid-based factor xa inhibitors

Contents 1 Overview 2 Disease 3 About this Structure 4 Reference

Overview

Herein, we report on the identification of three potent glycine and related amino acid-based series of FXa inhibitors containing a neutral P1 chlorophenyl pharmacophore. A X-ray crystal structure has shown that constrained glycine derivatives with optimized N-substitution can greatly increase hydrophobic interactions in the FXa active site. Also, the substitution of a pyridone ring for a phenylsulfone ring in the P4 sidechain resulted in an inhibitor with enhanced oral bioavailability.

Disease

Known disease associated with this structure: Factor X deficiency OMIM:[227600]

About this Structure

2Q1J is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

The discovery of glycine and related amino acid-based factor Xa inhibitors., Kohrt JT, Filipski KJ, Cody WL, Bigge CF, La F, Welch K, Dahring T, Bryant JW, Leonard D, Bolton G, Narasimhan L, Zhang E, Peterson JT, Haarer S, Sahasrabudhe V, Janiczek N, Desiraju S, Hena M, Fiakpui C, Saraswat N, Sharma R, Sun S, Maiti SN, Leadley R, Edmunds JJ, Bioorg Med Chem. 2006 Jul 1;14(13):4379-92. Epub 2006 Mar 10. PMID:16529937

Page seeded by OCA on Sun Mar 23 15:42:15 2008