Details of the Probe

General Information of Probe

Probe ID	LDPC0067
Probe Name	THL-R
Probe Type	ABPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 2	Molecular Weight (mw)	491.7
	Lipid-water partition coefficient (xlogp)	8.9
	Rotatable Bond Count (rotbonds)	22
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C29H49NO5 IUPAC Name [(2S)-1-[(2S,3S)-3-hex-5-ynyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate Canonical SMILES CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCC#C)OC(=O)C(CC(C)C)NC=O InChI InChI=1S/C29H49NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h2,22-27H,5,7-21H2,1,3-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1 InChIKey YHKLBWUOXJBAIG-FWEHEUNISA-N

The Probe Interaction Atlas

Target(s) List of this Probe

2 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Fatty acid synthase (FASN)	LDTP04243	N.A.	LDD0077
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH)	LDTP02038	N.A.	LDD0077
------------------------------------------------------------------------------------

2 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Annexin A2 (ANXA2)	LDTP02199	N.A.	LDD0077
Heat shock protein HSP 90-beta (HSP90AB1)	LDTP02262	N.A.	LDD0077
------------------------------------------------------------------------------------

4 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Large ribosomal subunit protein eL14 (RPL14)	LDTP04389	N.A.	LDD0077
Large ribosomal subunit protein eL8 (RPL7A)	LDTP04990	N.A.	LDD0077
Small ribosomal subunit protein uS4 (RPS9)	LDTP04109	N.A.	LDD0077
Tubulin beta chain (TUBB)	LDTP02205	N.A.	LDD0077
------------------------------------------------------------------------------------

Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0018	Orlistat	100 uM		Human hepatoblastoma cells (Hep-G2)	[1]

Full Information of The Labelling Profiles of This Probe

Other data

Experiment 1 Reporting the Labelling Profiles of This Probe

REF [1]

Probe concentration

20 uM

Competitor Name

Orlistat

Competitor Concentration

100 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

LDD0077

References

1	Activity-based proteome profiling of potential cellular targets of Orlistat--an FDA-approved drug with anti-tumor activities. J Am Chem Soc. 2010 Jan 20;132(2):656-66. doi: 10.1021/ja907716f.