Details of the Probe

General Information of Probe

Probe ID	LDPC0229
Probe Name	HM-2
Probe Type	PAL-AfBPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 4	Molecular Weight (mw)	824.895
	Lipid-water partition coefficient (xlogp)	6.6676
	Rotatable Bond Count (rotbonds)	17
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	15
Chemical Identifiers	Formula C45H44N8O8 Canonical SMILES C#CCCC1(CCOc2ccc3oc(C(=O)Nc4cc(OC)c(OC)cc4-c4nnn(-c5ccc(CCN6CCc7cc(OC)c(OC)cc7C6)cc5)n4)cc(=O)c3c2)N=N1 InChI InChI=1S/C45H44N8O8/c1-6-7-16-45(49-50-45)17-20-60-32-12-13-37-34(23-32)36(54)26-42(61-37)44(55)46-35-25-41(59-5)40(58-4)24-33(35)43-47-51-53(48-43)31-10-8-28(9-11-31)14-18-52-19-15-29-21-38(56-2)39(57-3)22-30(29)27-52/h1,8-13,21-26H,7,14-20,27H2,2-5H3,(H,46,55) InChIKey IVKOCSRUYISXGX-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
ATP-dependent translocase ABCB1 (ABCB1)	LDTP02254	2.20	LDD0436
Nucleolar RNA helicase 2 (DDX21)	LDTP12469	1.78	LDD0436
Probable 28S rRNA (cytosine(4447)-C(5))-methyltransferase (NOP2)	LDTP04084	3.38	LDD0436
------------------------------------------------------------------------------------

1 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Endoplasmic reticulum-Golgi intermediate compartment protein 1 (ERGIC1)	LDTP10046	1.97	LDD0436
------------------------------------------------------------------------------------

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

LDD0436

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.