Ligand Id: 2738
Ligand name cholesterol sulphate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 71.98
Molecular weight 466.31
XLogP 9.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
References
1. Kallen, JA; Schlaeppi, JM; Bitsch, F; Geisse, S; Geiser, M; Delhon, I; Fournier, B. (2002)
X-ray structure of the hRORalpha LBD at 1.63 A: structural and functional data that cholesterol or a cholesterol derivative is the natural ligand of RORalpha.
Structure, 10 (12): 1697-707. [PMID:12467577]
2. Bitsch, F; Aichholz, R; Kallen, J; Geisse, S; Fournier, B; Schlaeppi, JM. (2003)
Identification of natural ligands of retinoic acid receptor-related orphan receptor alpha ligand-binding domain expressed in Sf9 cells--a mass spectrometry approach.
Anal. Biochem., 323 (1): 139-49. [PMID:14622968]

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