Details of the Probe

General Information of Probe

Probe ID
LDPC0221
Probe Name
AF-2
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 483.891
Lipid-water partition coefficient (xlogp) 5.1386
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H19ClFN7O3
Canonical SMILES
[N-]=[N+]=NCC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1
InChI
InChI=1S/C22H19ClFN7O3/c23-16-8-13(3-4-17(16)24)29-22-15-9-19(30-21(32)2-1-6-28-31-25)20(10-18(15)26-12-27-22)34-14-5-7-33-11-14/h1-4,8-10,12,14H,5-7,11H2,(H,30,32)(H,26,27,29)/b2-1+/t14-/m0/s1
InChIKey
CZMRHBQQBMMLSG-YUKKFKLSSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

10 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aconitate hydratase, mitochondrial (ACO2) LDTP10982 10.00  LDD0422 
Adenosylhomocysteinase (AHCY) LDTP03242 10.00  LDD0422 
DNA topoisomerase 3-alpha (TOP3A) LDTP05885 10.00  LDD0422 
Epidermal growth factor receptor (EGFR) LDTP01785 1.91  LDD0422 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 1.99  LDD0422 
Phosphoglycerate mutase 1 (PGAM1) LDTP02963 1.62  LDD0422 
Probable ATP-dependent RNA helicase DDX5 (DDX5) LDTP02924 10.00  LDD0422 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 2.44  LDD0422 
Ras-related protein Rab-1B (RAB1B) LDTP11733 10.00  LDD0422 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.69  LDD0422 
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⏷ Show the Full List of 10 Enzyme
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Zinc finger protein 736 (ZNF736) LDTP18926 2.81  LDD0422 
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20 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 2.84  LDD0422 
Histone H4 (H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16) LDTP05004 1.59  LDD0422 
Keratin, type I cytoskeletal 10 (KRT10) LDTP02674 1.61  LDD0422 
Keratin, type I cytoskeletal 14 (KRT14) LDTP01930 1.96  LDD0422 
Keratin, type I cytoskeletal 9 (KRT9) LDTP03755 3.53  LDD0422 
Keratin, type II cytoskeletal 1 (KRT1) LDTP02031 2.37  LDD0422 
Keratin, type II cytoskeletal 5 (KRT5) LDTP02676 1.68  LDD0422 
Keratin, type II cytoskeletal 6A (KRT6A) LDTP01931 1.59  LDD0422 
Large ribosomal subunit protein uL15 (RPL27A) LDTP04105 1.75  LDD0422 
Large ribosomal subunit protein uL5 (RPL11) LDTP05026 2.21  LDD0422 
Lymphocyte antigen 6D (LY6D) LDTP06086 10.00  LDD0422 
MAP kinase-activating death domain protein (MADD) LDTP09699 9.61  LDD0422 
Pre-mRNA-splicing factor 38A (PRPF38A) LDTP09033 3.79  LDD0422 
Putative ribosomal protein eL39-like 5 (RPL39P5) LDTP19326 2.29  LDD0422 
Small ribosomal subunit protein eS17 (RPS17) LDTP02302 10.00  LDD0422 
Small ribosomal subunit protein uS10 (RPS20) LDTP04880 1.75  LDD0422 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 2.75  LDD0422 
Small ribosomal subunit protein uS9 (RPS16) LDTP04966 10.00  LDD0422 
SURP and G-patch domain-containing protein 2 (SUGP2) LDTP08578 10.00  LDD0422 
Transcriptional activator MN1 (MN1) LDTP05627 4.06  LDD0422 
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⏷ Show the Full List of 20 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0166  Afatinib 0.5 uM Human skin squamous cell carcinoma cells (A431) [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
0.1 uM
Quantitative Method
LFQ
Competitor Name
Afatinib
 Competitor Info 
Competitor Concentration
0.5 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Skin
Disease Model
Skin squamous cell carcinoma [ICD-11:2C31]
Model Name
Human skin squamous cell carcinoma cells (A431)
Interaction Atlas ID
 LDD0422 
Download The Altas

References

1 Minimalist linkers suitable for irreversible inhibitors in simultaneous proteome profiling, live-cell imaging and drug screening. Chem Commun (Camb). 2019 Jan 15;55(6):834-837. doi: 10.1039/c8cc08685k.