cytosporone B

Ligand id: 5424

Name: cytosporone B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 83.83
Molecular weight 322.18
XLogP 3.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Baker KD, Shewchuk LM, Kozlova T, Makishima M, Hassell A, Wisely B, Caravella JA, Lambert MH, Reinking JL, Krause H, Thummel CS, Willson TM, Mangelsdorf DJ. (2003)
The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway.
Cell, 113 (6): 731-42. [PMID:12809604]
2. Flaig R, Greschik H, Peluso-Iltis C, Moras D. (2005)
Structural basis for the cell-specific activities of the NGFI-B and the Nurr1 ligand-binding domain.
J. Biol. Chem., 280 (19): 19250-8. [PMID:15716272]
3. Wang Z, Benoit G, Liu J, Prasad S, Aarnisalo P, Liu X, Xu H, Walker NP, Perlmann T. (2003)
Structure and function of Nurr1 identifies a class of ligand-independent nuclear receptors.
Nature, 423 (6939): 555-60. [PMID:12774125]
4. Zhan Y, Du X, Chen H, Liu J, Zhao B, Huang D, Li G, Xu Q, Zhang M, Weimer BC et al.. (2008)
Cytosporone B is an agonist for nuclear orphan receptor Nur77.
Nat. Chem. Biol., 4 (9): 548-56. [PMID:18690216]