zaragozic acid A

Ligand id: 3057

Name: zaragozic acid A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 19
Topological polar surface area 223.42
Molecular weight 690.29
XLogP 4.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Bergstrom JD, Kurtz MM, Rew DJ, Amend AM, Karkas JD, Bostedor RG, Bansal VS, Dufresne C, VanMiddlesworth FL, Hensens OD. (1993)
Zaragozic acids: a family of fungal metabolites that are picomolar competitive inhibitors of squalene synthase.
Proc. Natl. Acad. Sci. U.S.A., 90 (1): 80-4. [PMID:8419946]
2. Soltis DA, McMahon G, Caplan SL, Dudas DA, Chamberlin HA, Vattay A, Dottavio D, Rucker ML, Engstrom RG, Cornell-Kennon SA. (1995)
Expression, purification, and characterization of the human squalene synthase: use of yeast and baculoviral systems.
Arch. Biochem. Biophys., 316 (2): 713-23. [PMID:7864626]
3. Thompson JF, Danley DE, Mazzalupo S, Milos PM, Lira ME, Harwood HJ. (1998)
Truncation of human squalene synthase yields active, crystallizable protein.
Arch. Biochem. Biophys., 350 (2): 283-90. [PMID:9473303]