Details of the Probe

General Information of Probe

Probe ID	LDPC0157
Probe Name	8ef
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 2	Molecular Weight (mw)	717.823
	Lipid-water partition coefficient (xlogp)	4.18372
	Rotatable Bond Count (rotbonds)	17
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	10
Chemical Identifiers	Formula C41H43N5O7 Canonical SMILES C#CCOCCNC(=O)CN(Cc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(COC)COC)c2c1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 InChI InChI=1S/C41H43N5O7/c1-6-19-53-20-18-42-37(47)25-45(41(50)32-15-13-31(14-16-32)38(48)30-10-8-7-9-11-30)23-29-12-17-35-36(22-29)46(34(26-51-4)27-52-5)39(43-35)33-21-28(2)40(49)44(3)24-33/h1,7-17,21-22,24,34H,18-20,23,25-27H2,2-5H3,(H,42,47) InChIKey PKDIPFKLNRPJDH-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

1 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
FACT complex subunit SPT16 (SUPT16H)	LDTP14109	3.56	LDD0251
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1 Transcription factor Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Zinc finger MYM-type protein 1 (ZMYM1)	LDTP19380	2.68	LDD0251
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3 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Bromodomain-containing protein 2 (BRD2)	LDTP03322	6.15	LDD0251
Bromodomain-containing protein 3 (BRD3)	LDTP06304	6.73	LDD0251
Bromodomain-containing protein 4 (BRD4)	LDTP01074	7.95	LDD0251
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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

LDD0251

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.