Ligand id: 1915

Name: PGI2

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 352.22
XLogP 2.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Davis TL, Sharif NA. (2000)
Pharmacological characterization of [(3)H]-prostaglandin E(2) binding to the cloned human EP(4) prostanoid receptor.
Br J Pharmacol, 130: 1919-1926. [PMID:10952683]
2. Gryglewski RJ, Bunting S, Moncada S, Flower RJ, Vane JR. (1976)
Arterial walls are protected against deposition of platelet thrombi by a substance (prostaglandin X) which they make from prostaglandin endoperoxides.
Prostaglandins, 12 (5): 685-713. [PMID:824685]
3. Hatae T, Hara S, Yokoyama C, Yabuki T, Inoue H, Ullrich V, Tanabe T. (1996)
Site-directed mutagenesis of human prostacyclin synthase: Alteration of Cys441 of the Cys-pocket, and Glu347 and Arg350 of the EXXR motif.
FEBS Lett., 389 (3): 268-72. [PMID:8766713]
4. Sharif NA, Davis TL. (2002)
Cloned human EP1 prostanoid receptor pharmacology characterized using radioligand binding techniques.
J. Pharm. Pharmacol., 54 (4): 539-47. [PMID:11999132]
5. Siegl AM, Smith JB, Silver MJ, Nicolaou KC, Ahern D. (1979)
Selective binding site for [3H]prostacyclin on platelets.
J. Clin. Invest., 63 (2): 215-20. [PMID:372237]