Ligand id: 1882

Name: PGE1

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 94.83
Molecular weight 354.24
XLogP 3.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Bastien L, Sawyer N, Grygorczyk R, Metters KM, Adam M. (1994)
Cloning, functional expression, and characterization of the human prostaglandin E2 receptor EP2 subtype.
J. Biol. Chem., 269: 11873-11877. [PMID:8163486]
2. Boie Y, Stocco R, Sawyer N, Slipetz DM, Ungrin MD, Neuschafer-Rube F, Puschel GP, Metters KM, Abramovitz M. (1997)
Molecular cloning and characterisation of the four rat prostaglandin E2 prostanoid receptor subtypes.
Eur. J. Pharmacol., 304: 227-241. [PMID:9537820]
3. 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]
4. Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S. (1997)
Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells.
Br. J. Pharmacol., 122: 217-224. [PMID:9313928]
5. Leduc M, Breton B, Gal├ęs C, Le Gouill C, Bouvier M, Chemtob S, Heveker N. (2009)
Functional selectivity of natural and synthetic prostaglandin EP4 receptor ligands.
J. Pharmacol. Exp. Ther., 331 (1): 297-307. [PMID:19584306]
6. Lishko PV, Botchkina IL, Kirichok Y. (2011)
Progesterone activates the principal Ca2+ channel of human sperm.
Nature, 471 (7338): 387-91. [PMID:21412339]
7. Maruyama T, Asada M, Shiraishi T, Ishida A, Egashira H, Yoshida H, Maruyama T, Ohuchida S, Nakai H, Kondo K et al.. (2001)
Design and synthesis of a highly selective EP4-receptor agonist. Part 1: 3,7-dithiaPG derivatives with high selectivity.
Bioorg. Med. Chem. Lett., 11 (15): 2029-31. [PMID:11454473]
8. Sharif NA, Davis TL. (2002)
Cloned human EP1 prostanoid receptor pharmacology characterized using radioligand binding techniques.
J Pharm Pharmacol, 54: 539-547. [PMID:11999132]
9. Stitham J, Arehart E, Gleim SR, Li N, Douville K, Hwa J. (2007)
New insights into human prostacyclin receptor structure and function through natural and synthetic mutations of transmembrane charged residues.
Br. J. Pharmacol., 152 (4): 513-22. [PMID:17704830]
10. Wright DH, Metters KM, Abramovitz M, Ford-Hutchinson AW. (1998)
Characterization of the recombinant human prostaglandin DP-receptor identifies L-644,698 a novel, DP-selective agonist.
Br. J. Pharmacol., 123: 1317-1324. [PMID:9579725]