2cji

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spinqualitylabelsall models PDB ID 2cji Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
, resolution 2.10Å
Sites:
Ligands:	and
Activity:	Coagulation factor Xa, with EC number 3.4.21.6
Coordinates:	save as pdb, mmCIF, xml

CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX

Contents 1 Overview 2 Disease 3 About this Structure 4 Reference

Overview

A series of novel, non-basic 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating an alanylamide P4 group, was designed and synthesised. Within this series, the N-2-(morpholin-4-yl)-2-oxoethyl derivative 24 was shown to be a potent, selective fXa inhibitor with good anticoagulant activity. Moreover, 24 possessed highly encouraging rat and dog pharmacokinetic profiles with excellent oral bioavailabilities in both species.

Disease

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

About this Structure

2CJI is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors., Watson NS, Brown D, Campbell M, Chan C, Chaudry L, Convery MA, Fenwick R, Hamblin JN, Haslam C, Kelly HA, King NP, Kurtis CL, Leach AR, Manchee GR, Mason AM, Mitchell C, Patel C, Patel VK, Senger S, Shah GP, Weston HE, Whitworth C, Young RJ, Bioorg Med Chem Lett. 2006 Jul 15;16(14):3784-8. Epub 2006 May 11. PMID:16697194

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