2j4i
From Proteopedia
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==Overview== | ==Overview== | ||
Structure-based drug design was exploited in the synthesis of, 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa), inhibitors, incorporating an alanylamide P4 group with acyclic tertiary, amide termini. Optimized hydrophobic contacts of one amide substituent in, P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent, anticoagulant properties. | Structure-based drug design was exploited in the synthesis of, 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa), inhibitors, incorporating an alanylamide P4 group with acyclic tertiary, amide termini. Optimized hydrophobic contacts of one amide substituent in, P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent, anticoagulant properties. | ||
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| + | ==Disease== | ||
| + | Known disease associated with this structure: Factor X deficiency OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227600 227600]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 22:51:45 2007'' |
Revision as of 20:45, 12 November 2007
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Contents |
Overview
Structure-based drug design was exploited in the synthesis of, 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa), inhibitors, incorporating an alanylamide P4 group with acyclic tertiary, amide termini. Optimized hydrophobic contacts of one amide substituent in, P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent, anticoagulant properties.
Disease
Known disease associated with this structure: Factor X deficiency OMIM:[227600]
About this Structure
2J4I is a Protein complex structure of sequences from Homo sapiens with CA and GSJ as ligands. Active as Coagulation factor Xa, with EC number 3.4.21.6 Structure known Active Site: AC1. Full crystallographic information is available from OCA.
Reference
Structure- and property-based design of factor Xa inhibitors: pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs., Young RJ, Campbell M, Borthwick AD, Brown D, Burns-Kurtis CL, Chan C, Convery MA, Crowe MC, Dayal S, Diallo H, Kelly HA, King NP, Kleanthous S, Mason AM, Mordaunt JE, Patel C, Pateman AJ, Senger S, Shah GP, Smith PW, Watson NS, Weston HE, Zhou P, Bioorg Med Chem Lett. 2006 Dec 1;16(23):5953-7. Epub 2006 Sep 18. PMID:16982190
Page seeded by OCA on Mon Nov 12 22:51:45 2007
Categories: Coagulation factor Xa | Homo sapiens | Protein complex | Borthwick, A.D. | Brown, D. | Campbell, M. | Chan, C. | Convery, M.A. | Crowe, M.C. | Dayal, S. | Diallo, H. | Kelly, H.A. | King, N.Paul. | Kleanthous, S. | Kurtis, C.L. | Mason, A.M. | Mordaunt, J.E. | Patel, C. | Pateman, A.J. | Senger, S. | Shah, G.P. | Smith, P.W. | Watson, N.S. | Weston, H.E. | Young, R.J. | Zhou, P. | CA | GSJ | Blood coagulation | Calcium | Complex | Egf-like domain | Gamma-carboxyglutamic acid | Glycoprotein | Hydrolase | Hydroxylation | Polymorphism | Protease | Serine protease | Zymogen
