Details of the Probe

General Information of Probe

Probe ID	LDPC0002
Probe Name	aONE
Synonyms	4-Oxo-2-Nonenal Alkyne; (E)-4-Oxonon-2-en-8-ynal; 1680193-58-1; 4-Oxo-2-NonenalAlkyne; Alkynyl 4-oxo-2-nonenal; (2E)-4-OXONON-2-EN-8-YNAL; BP-22692; HY-116879; CS-0066735
Probe Type	ABPP Probe
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	150.17
	Lipid-water partition coefficient (xlogp)	0.5
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	2
Chemical Identifiers	Formula C9H10O2 IUPAC Name (E)-4-oxonon-2-en-8-ynal Canonical SMILES C#CCCCC(=O)C=CC=O InChI InChI=1S/C9H10O2/c1-2-3-4-6-9(11)7-5-8-10/h1,5,7-8H,3-4,6H2/b7-5+ InChIKey YSPMTKWXGONLQR-FNORWQNLSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

5 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Alpha-enolase (ENO1)	LDTP02159	K80; K5	LDD0002
Casein kinase II subunit alpha (CSNK2A1)	LDTP05077	K102	LDD0002
E3 ubiquitin-protein ligase LRSAM1 (LRSAM1)	LDTP07672	K138	LDD0002
Elongation factor 2 (EEF2)	LDTP02672	K318	LDD0002
Probable ATP-dependent RNA helicase DDX41 (DDX41)	LDTP13401	K366	LDD0002
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3 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
14-3-3 protein theta (YWHAQ)	LDTP03385	K9	LDD0002
Bridge-like lipid transfer protein family member 3A (BLTP3A)	LDTP07361	K255	LDD0002
Disintegrin and metalloproteinase domain-containing protein 11 (ADAM11)	LDTP01116	K278	LDD0002
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16 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Fibrosin-1-like protein (FBRSL1)	LDTP18445	K118	LDD0002
Heterogeneous nuclear ribonucleoprotein A1 (HNRNPA1)	LDTP02364	K106	LDD0002
Heterogeneous nuclear ribonucleoprotein A3 (HNRNPA3)	LDTP04495	K127	LDD0002
Histone H1.2 (H1-2)	LDTP02845	K46	LDD0002
Histone H1.3 (H1-3)	LDTP02844	K47	LDD0002
Histone H1.4 (H1-4)	LDTP02494	K46	LDD0002
Histone H2A type 2-C (H2AC20)	LDTP06627	K120	LDD0002
Histone H2B type 1-K (H2BC12)	LDTP01054	K109; K117	LDD0002
Histone H2B type 3-B (H2BC26)	LDTP08787	K117; K109	LDD0002
Histone H4 (H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16)	LDTP05004	K78; K92	LDD0002
NACHT, LRR and PYD domains-containing protein 11 (NLRP11)	LDTP14736	K172	LDD0002
Nucleolin (NCL)	LDTP02990	K398	LDD0002
Profilin-1 (PFN1)	LDTP02218	K108	LDD0002
Protocadherin-11 Y-linked (PCDH11Y)	LDTP11520	K96	LDD0002
Rho GTPase-activating protein 29 (ARHGAP29)	LDTP06880	K1059	LDD0002
Sperm-associated antigen 1 (SPAG1)	LDTP05522	K190	LDD0002
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⏷ Show the Full List of 16 Other

Full Information of The Labelling Profiles of This Probe

Qualitation: Labeling site identification

Experiment 1 Reporting the Labelling Profiles of This Probe

REF [1]

Probe concentration

50 uM

Quantitative Method

Isotope tag

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Colon

Disease Model

Colon carcinoma [ICD-11:2B90]

Model Name

Human colon carcinoma cells (RKO)

Interaction Atlas ID

LDD0002

References

1	A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21. Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764