Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: Preference for a neutral group in the S1 pocket
- Author
- MAIGNAN, Sébastien1 ; GUILLOTEAU, Jean-Pierre1 ; CHOI-SLEDESKI, Yong Mi1 2 ; BECKER, Michael R2 ; EWING, William R2 ; PAULS, Henry W2 ; SPADA, Alfred P2 ; MIKOL, Vincent1
[1] Department of Structural Biology, Aventis Pharma, 13, Quai J. Guesde, 94403 Vitry/Seine, France
[2] Department of Medicinal Chemistry, Aventis Pharma, 500 Arcola Road, Collegeville, Pennsylvania 19426, United States - Source
Journal of medicinal chemistry (Print). 2003, Vol 46, Num 5, pp 685-690, 6 p ; ref : 21 ref
- CODEN
- JMCMAR
- ISSN
- 0022-2623
- Scientific domain
- Pharmacology drugs
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Amidine Benzène dérivé Biphényle dérivé Chlore Composé organique Coagulation Factor Xa Complexe enzyme inhibiteur Composé aromatique Composé bicyclique Composé non peptide Cycle 6 chaînons Diffraction RX Hétérocycle azote Hétérocycle soufre Inhibiteur enzyme Isomère position Lactame Mode liaison Modèle moléculaire Modélisation Relation structure activité Site fixation Structure cristalline Structure moléculaire Sulfonamide Thiophène dérivé Benzamidine dérivé Benzo[b]thiophène dérivé Benzothiophène Butyrique acide2-[3-amidinobenzyl]-4-[([3p-(aminométhyl)biphényl-4-yl]carbonyl)amino] ester méthyle Pipérazin-2-one(1-[amidinobenzyl]-4-[(6-chlorobenzo[b]thién-2-yl)sulfonyl]) Pipérazin-2-one(4-[(2-[2-chloro-5-thiényl]vinyl)sulfonyl]-1-[(pyrrolo[3,2-c]pyrid-2-yl)méthyl]) Pipérazin-2-one(4-[(6-chlorobenzo[b]thién-2-yl)sulfonyl]-1-[(1-[2-hydroxyéthyl]pyrrolo[3,2-c]pyrid-2-yl)méthyl]) Pyrrolo[3,2-c]pyridine dérivé Enzyme Hydrolases Peptidases Serine endopeptidases
- Keyword (en)
- Amidine Benzene derivatives Biphenyl derivatives Chlorine Organic compounds Coagulation Factor Xa Inhibitor enzyme complex Aromatic compound Bicyclic compound Non peptide compound Six membered ring X ray diffraction Nitrogen heterocycle Sulfur heterocycle Enzyme inhibitor Position isomer Lactam Binding mode Molecular model Modeling Structure activity relation Binding site Crystalline structure Molecular structure Sulfonamide Thiophene derivatives Enzyme Hydrolases Peptidases Serine endopeptidases
- Keyword (es)
- Amidina Benceno derivado Bifenilo derivado Cloro Compuesto orgánico Coagulation Factor Xa Complejo enzima inhibidor Compuesto aromático Compuesto bicíclico Compuesto no péptido Ciclo 6 eslabones Difracción RX Heterociclo nitrógeno Heterociclo azufre Inhibidor enzima Isómero posición Lactamo Modo de enlace Modelo molecular Modelización Relación estructura actividad Sitio fijación Estructura cristalina Estructura molecular Sulfonamida Tiofeno derivado Enzima Hydrolases Peptidases Serine endopeptidases
- Classification
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02G Blood. Blood coagulation. Reticuloendothelial system
- Discipline
- Pharmacological treatments
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 14571498
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jm0203837 
https://dx.doi.org/10.1021/jm0203837
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