Details of the Probe

General Information of Probe

Probe ID	LDPC0156
Probe Name	8df
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 3	Molecular Weight (mw)	765.79
	Lipid-water partition coefficient (xlogp)	4.15022
	Rotatable Bond Count (rotbonds)	19
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	12
Chemical Identifiers	Formula C38H42F3N7O7 Canonical SMILES C#CCOCCOCCNC(=O)CN(Cc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(COC)COC)c2c1)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 InChI InChI=1S/C38H42F3N7O7/c1-6-14-54-16-17-55-15-13-42-33(49)22-47(36(51)27-8-10-29(11-9-27)37(44-45-37)38(39,40)41)20-26-7-12-31-32(19-26)48(30(23-52-4)24-53-5)34(43-31)28-18-25(2)35(50)46(3)21-28/h1,7-12,18-19,21,30H,13-17,20,22-24H2,2-5H3,(H,42,49) InChIKey BBZLRTYAFTVBTO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

3 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Bromodomain-containing protein 2 (BRD2)	LDTP03322	3.27	LDD0250
Bromodomain-containing protein 3 (BRD3)	LDTP06304	5.70	LDD0250
Bromodomain-containing protein 4 (BRD4)	LDTP01074	3.73	LDD0250
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Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0092	Amine 8	50 uM		Human acute myeloid leukemia cells (HL-60)	[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

1 uM

Quantitative Method

TMT

Competitor Name

Amine 8

Competitor Concentration

50 uM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Peripheral blood

Disease Model

Acute myeloid leukemia [ICD-11:2A60]

Model Name

Human acute myeloid leukemia cells (HL-60)

Interaction Atlas ID

LDD0250

References

1	One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry. 2021 Dec 20;27(71):17880-17888. doi: 10.1002/chem.202102036. Epub 2021 Sep 14.