Role of the active-site solvent in the thermodynamics of factor Xa ligand binding (Q34748976)

4 August 2017

title

Role of the active-site solvent in the thermodynamics of factor Xa ligand binding (English)

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4 August 2017

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Robert Abel

1

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4 August 2017

Tom Young

2

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4 August 2017

Ramy Farid

3

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4 August 2017

Bruce J Berne

4

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4 August 2017

Richard A Friesner

5

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4 August 2017

language of work or name

English

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publication date

12 February 2008

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Journal of the American Chemical Society

4 August 2017

published in

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4 August 2017

volume

130

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4 August 2017

issue

9

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4 August 2017

page(s)

2817-2831

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Oral, direct factor Xa inhibitors in development for the prevention and treatment of thromboembolic diseases

4 August 2017

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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7 July 2018

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Crystal structures of human factor Xa complexed with potent inhibitors

7 July 2018

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Structural basis for chemical inhibition of human blood coagulation factor Xa

7 July 2018

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7 July 2018

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7 July 2018

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26 October 2018

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Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography.

26 October 2018

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26 October 2018

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Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor

26 October 2018

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Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element

26 October 2018

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Arylsulfonamides: A study of the relationship between activity and conformational preferences for a series of factor Xa inhibitors

26 October 2018

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Structure- and property-based design of factor Xa inhibitors: Pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs

26 October 2018

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Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors

26 October 2018

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1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor o

26 October 2018

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12 December 2020

How many water molecules can be detected by protein crystallography?

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12 December 2020

Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring

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12 December 2020

Large-scale networks of hydration water molecules around bovine beta-trypsin revealed by cryogenic X-ray crystal structure analysis

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12 December 2020

Direct entropy calculation from computer simulation of liquids

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12 December 2020

Quantification of cation-pi interactions in protein-ligand complexes: crystal-structure analysis of Factor Xa bound to a quaternary ammonium ion ligand

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12 December 2020

Identifiers

DOI

10.1021/JA0771033

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4 August 2017

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4 August 2017

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