Details of the Probe

General Information of Probe

Probe ID	LDPC0234
Probe Name	AX-1
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 3	Molecular Weight (mw)	646.719
	Lipid-water partition coefficient (xlogp)	8.09922
	Rotatable Bond Count (rotbonds)	12
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	8
Chemical Identifiers	Formula C38H35FN4O5 Canonical SMILES C#CCCC1(CCOc2cc3cccc(Oc4ccc(NC(=O)c5c(C)n(C)c6ccc(CC)cc6c5=O)cc4F)c3cc2OC)N=N1 InChI InChI=1S/C38H35FN4O5/c1-6-8-16-38(41-42-38)17-18-47-34-20-25-10-9-11-31(27(25)22-33(34)46-5)48-32-15-13-26(21-29(32)39)40-37(45)35-23(3)43(4)30-14-12-24(7-2)19-28(30)36(35)44/h1,9-15,19-22H,7-8,16-18H2,2-5H3,(H,40,45) InChIKey PCNFWIAULQZKSJ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

3 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Lysophospholipid acyltransferase 5 (LPCAT3)	LDTP07504	3.19	LDD0441
NADPH--cytochrome P450 reductase (POR)	LDTP02848	3.39	LDD0441
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH)	LDTP15484	5.05	LDD0441
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6 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
B-cell receptor-associated protein 31 (BCAP31)	LDTP04426	3.74	LDD0441
Calnexin (CANX)	LDTP03405	2.48	LDD0441
Caveolin-1 (CAV1)	LDTP05394	2.44	LDD0441
Transmembrane 9 superfamily member 3 (TM9SF3)	LDTP18448	3.10	LDD0441
Voltage-dependent anion-selective channel protein 1 (VDAC1)	LDTP03132	4.56	LDD0441
Voltage-dependent anion-selective channel protein 2 (VDAC2)	LDTP04071	4.25	LDD0441
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⏷ Show the Full List of 6 Transporter and channel

Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0176	9im	10 uM		Human breast adenocarcinoma cells (MDA-MB-231)	[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

SILAC

Competitor Name

9im

Competitor Concentration

10 uM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Breast

Disease Model

Breast adenocarcinoma [ICD-11:2C60]

Model Name

Human breast adenocarcinoma cells (MDA-MB-231)

Interaction Atlas ID

LDD0441

References

1	Cell- and Tissue-Based Proteome Profiling and Bioimaging with Probes Derived from a Potent AXL Kinase Inhibitor. Chem Asian J. 2018 Sep 17;13(18):2601-2605. doi: 10.1002/asia.201800605. Epub 2018 Aug 7.