Details of the Probe

General Information of Probe

Probe ID	LDPC0184
Probe Name	Photoprobe 2
Probe Type	ABPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 2	Molecular Weight (mw)	595.739
	Lipid-water partition coefficient (xlogp)	4.3048
	Rotatable Bond Count (rotbonds)	11
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	7
Chemical Identifiers	Formula C31H33NO7S2 Canonical SMILES C#CCOc1ccc(C(=O)c2ccc(OCC3CN(S(=O)(=O)c4ccccc4S(C)(=O)=O)CC3C(C)C)cc2)cc1 InChI InChI=1S/C31H33NO7S2/c1-5-18-38-26-14-10-23(11-15-26)31(33)24-12-16-27(17-13-24)39-21-25-19-32(20-28(25)22(2)3)41(36,37)30-9-7-6-8-29(30)40(4,34)35/h1,6-17,22,25,28H,18-21H2,2-4H3/t25-,28-/m1/s1 InChIKey OVLWLEVSNNWQJS-LEAFIULHSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 Transcription factor Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Oxysterols receptor LXR-beta (NR1H2)	LDTP04659	S278(17.84)	LDD0307
------------------------------------------------------------------------------------

Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0002	Ward_cp1	25 uM		Human astrocytoma cells (CCF-STTG1)	[1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs (Probe+Competitor)

Experiment 1 Reporting the Labelling Profiles of This Probe

REF [1]

Probe concentration

500 nM

Quantitative Method

SILAC

Competitor Name

Ward_cp1

Competitor Concentration

25 uM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Brain

Disease Model

Astrocytoma [ICD-11:2F36]

Model Name

Human astrocytoma cells (CCF-STTG1)

Interaction Atlas ID

LDD0307

References

1	Photoaffinity Labeling and Quantitative Chemical Proteomics Identify LXR as the Functional Target of Enhancers of Astrocytic apoE. Cell Chem Biol. 2021 Feb 18;28(2):148-157.e7. doi: 10.1016/j.chembiol.2020.09.002. Epub 2020 Sep 29.