2q1j | pdb_00002q1j
The discovery of glycine and related amino acid-based factor xa inhibitors
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| 2q1j, resolution 1.90Å | |||||||||||||
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| Ligands: | CA, FXI | ||||||||||||
| Activity: | Coagulation factor Xa, with EC number 3.4.21.6 | ||||||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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.
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 Mon Mar 31 04:43:23 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Coagulation factor Xa
- Homo sapiens
- Protein complex
- Bigge, C F.
- Cody, W L.
- Filipski, K J.
- Finzel, B C.
- Kohrt, J T.
- Zhang, E.
- Blood coagulation
- Calcium
- Cleavage on pair of basic residue
- Coagulation fxa
- Egf-like domain
- Gamma-carboxyglutamic acid
- Glycoprotein
- Hydrolase
- Hydroxylation
- Polymorphism
- Protease
- Serine protease
- Zymogen
