Details of the Probe

General Information of Probe

Probe ID	LDPC0212
Probe Name	P26
Probe Type	ABPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	442.899
	Lipid-water partition coefficient (xlogp)	2.691
	Rotatable Bond Count (rotbonds)	10
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C23H23ClN2O5 Canonical SMILES C#CCOc1ccc(C(C(=O)NCC(=O)OCC)N(C(=O)CCl)c2ccccc2)cc1 InChI InChI=1S/C23H23ClN2O5/c1-3-14-31-19-12-10-17(11-13-19)22(23(29)25-16-21(28)30-4-2)26(20(27)15-24)18-8-6-5-7-9-18/h1,5-13,22H,4,14-16H2,2H3,(H,25,29) InChIKey GWZQOJFPAZKYIG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2)	LDTP03998	1.61	LDD0409
Alcohol dehydrogenase class-3 (ADH5)	LDTP02587	1.48	LDD0409
All-trans-retinol dehydrogenase [NAD(+)] ADH7 (ADH7)	LDTP03895	2.73	LDD0409
ATP synthase membrane subunit K, mitochondrial (ATP5MK)	LDTP10432	2.90	LDD0409
CAAX prenyl protease 1 homolog (ZMPSTE24)	LDTP01328	4.18	LDD0409
Cytosolic non-specific dipeptidase (CNDP2)	LDTP10514	1.86	LDD0409
Enoyl-CoA delta isomerase 1, mitochondrial (ECI1)	LDTP03965	1.59	LDD0409
Glutathione S-transferase omega-1 (GSTO1)	LDTP05128	1.59	LDD0409
Ras-related protein Rab-6B (RAB6B)	LDTP12538	1.96	LDD0409
Thioredoxin domain-containing protein 12 (TXNDC12)	LDTP01707	2.04	LDD0409
Tubulin alpha-1A chain (TUBA1A)	LDTP07907	1.71	LDD0409
Xaa-Pro dipeptidase (PEPD)	LDTP02639	1.95	LDD0409
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⏷ Show the Full List of 12 Enzyme

1 Transporter and channel Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Cytoskeleton-associated protein 4 (CKAP4)	LDTP05511	1.48	LDD0409
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11 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Calpain small subunit 1 (CAPNS1)	LDTP02047	1.54	LDD0409
Destrin (DSTN)	LDTP04887	3.00	LDD0409
Dystonin (DST)	LDTP05386	3.68	LDD0409
Keratin, type I cytoskeletal 13 (KRT13)	LDTP02675	1.65	LDD0409
Keratin, type II cytoskeletal 4 (KRT4)	LDTP02975	2.22	LDD0409
Keratin, type II cytoskeletal 7 (KRT7)	LDTP02305	1.76	LDD0409
Nucleolar protein 56 (NOP56)	LDTP00313	2.34	LDD0409
Transformer-2 protein homolog beta (TRA2B)	LDTP05036	1.29	LDD0409
Tubulin beta chain (TUBB)	LDTP02205	2.25	LDD0409
Tubulin beta-4B chain (TUBB4B)	LDTP05076	1.76	LDD0409
Tubulin beta-8 chain (TUBB8)	LDTP06809	1.81	LDD0409
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⏷ Show the Full List of 11 Other

Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0159	P28	10 uM		Human pancreatic ductal adenocarcinoma cells (BxPC-3)	[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

P28

Competitor Concentration

10 uM

In Vitro Experiment Model

Model Type

Living cell

Derived Tissue

Pancreas

Disease Model

Pancreatic ductal adenocarcinoma [ICD-11:2C10]

Model Name

Human pancreatic ductal adenocarcinoma cells (BxPC-3)

Interaction Atlas ID

LDD0409

References

1	Integrated phenotypic screening and activity-based protein profiling to reveal potential therapy targets of pancreatic cancer. Chem Commun (Camb). 2019 Jan 31;55(11):1596-1599. doi: 10.1039/c8cc08753a.