Details of the Probe

General Information of Probe

Probe ID	LDPC0231
Probe Name	HM-1
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 4	Molecular Weight (mw)	742.789
	Lipid-water partition coefficient (xlogp)	5.3352
	Rotatable Bond Count (rotbonds)	13
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	13
Chemical Identifiers	Formula C41H38N6O8 Canonical SMILES C#CCOc1ccc2oc(C(=O)Nc3cc(OC)c(OC)cc3-c3nnn(-c4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)n3)cc(=O)c2c1 InChI InChI=1S/C41H38N6O8/c1-6-17-54-29-11-12-34-31(20-29)33(48)23-39(55-34)41(49)42-32-22-38(53-5)37(52-4)21-30(32)40-43-45-47(44-40)28-9-7-25(8-10-28)13-15-46-16-14-26-18-35(50-2)36(51-3)19-27(26)24-46/h1,7-12,18-23H,13-17,24H2,2-5H3,(H,42,49) InChIKey AMBSMYQMPUNGTR-UHFFFAOYSA-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
ATP-dependent translocase ABCB1 (ABCB1)	LDTP02254	1.66	LDD0438
Nucleolar RNA helicase 2 (DDX21)	LDTP12469	1.93	LDD0438
Probable ATP-dependent RNA helicase DDX5 (DDX5)	LDTP02924	1.50	LDD0438
Ras-related protein Rab-6B (RAB6B)	LDTP12538	1.61	LDD0438
UDP-glucose 6-dehydrogenase (UGDH)	LDTP01033	1.60	LDD0438
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Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0173	HM30181	25 uM		Human hepatoblastoma cells (Hep-G2)	[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

5 uM

Quantitative Method

SILAC

Competitor Name

HM30181

Competitor Concentration

25 uM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Liver

Disease Model

Hepatoblastoma [ICD-11:DB91]

Model Name

Human hepatoblastoma cells (Hep-G2)

Interaction Atlas ID

LDD0438

References

1	Affinity-Based Protein Profiling Reveals Cellular Targets of Photoreactive Anticancer Inhibitors. ACS Chem Biol. 2019 Dec 20;14(12):2546-2552. doi: 10.1021/acschembio.9b00784. Epub 2019 Nov 26.