Details of the Probe

General Information of Probe

Probe ID
LDPC0220
Probe Name
AF-1
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 509.969
Lipid-water partition coefficient (xlogp) 4.3933
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C26H25ClFN5O3
Canonical SMILES
C#CCN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1
InChI
InChI=1S/C26H25ClFN5O3/c1-3-9-33(2)10-4-5-25(34)32-23-13-19-22(14-24(23)36-18-8-11-35-15-18)29-16-30-26(19)31-17-6-7-21(28)20(27)12-17/h1,4-7,12-14,16,18H,8-11,15H2,2H3,(H,32,34)(H,29,30,31)/b5-4+/t18-/m0/s1
InChIKey
BXMQVRGFXMESIR-WRFKIARRSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosylhomocysteinase (AHCY) LDTP03242 1.52  LDD0421 
Aspartate aminotransferase, mitochondrial (GOT2) LDTP01783 2.74  LDD0421 
Creatine kinase U-type, mitochondrial (CKMT1A; CKMT1B) LDTP02622 1.57  LDD0421 
DNA topoisomerase 3-alpha (TOP3A) LDTP05885 2.32  LDD0421 
Dual specificity protein phosphatase 19 (DUSP19) LDTP09539 2.04  LDD0421 
Elongation factor 2 (EEF2) LDTP02672 2.20  LDD0421 
Epidermal growth factor receptor (EGFR) LDTP01785 3.61  LDD0421 
Heat shock cognate 71 kDa protein (HSPA8) LDTP02541 10.00  LDD0421 
Long-chain-fatty-acid--CoA ligase 1 (ACSL1) LDTP03662 2.20  LDD0456 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 2.33  LDD0421 
Myosin-9 (MYH9) LDTP03764 2.25  LDD0456 
Nucleoside diphosphate kinase A (NME1) LDTP02796 2.65  LDD0456 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 3.39  LDD0421 
Ras-related protein Rab-1B (RAB1B) LDTP11733 10.00  LDD0421 
Signal peptidase complex subunit 1 (SPCS1) LDTP14229 1.93  LDD0421 
Tubulin--tyrosine ligase-like protein 12 (TTLL12) LDTP06067 2.21  LDD0421 
Very long chain fatty acid elongase 1 (ELOVL1) LDTP11311 2.35  LDD0421 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 10.00  LDD0421 
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⏷ Show the Full List of 18 Enzyme
2 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Spectrin beta chain, non-erythrocytic 1 (SPTBN1) LDTP05273 1.66  LDD0421 
Splicing factor, arginine/serine-rich 19 (SCAF1) LDTP12030 10.00  LDD0421 
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1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Zinc finger protein 736 (ZNF736) LDTP18926 2.23; 5.96  LDD0421 
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29 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Endothelin-2 (EDN2) LDTP03076 1.88  LDD0421 
Eukaryotic peptide chain release factor subunit 1 (ETF1) LDTP04993 10.00  LDD0421 
Ezrin (EZR) LDTP02779 4.54  LDD0421 
Histone H1.2 (H1-2) LDTP02845 3.58  LDD0421 
Keratin, type I cytoskeletal 10 (KRT10) LDTP02674 3.02  LDD0421 
Keratin, type II cytoskeletal 1 (KRT1) LDTP02031 1.88  LDD0421 
Keratin, type II cytoskeletal 2 epidermal (KRT2) LDTP03792 2.83  LDD0421 
Keratin, type II cytoskeletal 5 (KRT5) LDTP02676 1.98  LDD0421 
Keratinocyte proline-rich protein (KPRP) LDTP07136 3.05  LDD0421 
Large ribosomal subunit protein eL13 (RPL13) LDTP03354 1.54  LDD0421 
Large ribosomal subunit protein eL18 (RPL18) LDTP05509 1.63  LDD0421 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 1.89  LDD0421 
Large ribosomal subunit protein eL34 (RPL34) LDTP04233 1.73  LDD0421 
Large ribosomal subunit protein eL8 (RPL7A) LDTP04990 1.58  LDD0421 
Large ribosomal subunit protein uL1 (RPL10A) LDTP05024 1.60  LDD0421 
Large ribosomal subunit protein uL30 (RPL7) LDTP02944 1.58  LDD0421 
LIM and SH3 domain protein 1 (LASP1) LDTP06220 3.34  LDD0421 
Luc7-like protein 3 (LUC7L3) LDTP01534 3.35  LDD0421 
Lymphocyte antigen 6D (LY6D) LDTP06086 10.00  LDD0421 
Paxillin (PXN) LDTP04226 2.48  LDD0421 
Pleiotropic regulator 1 (PLRG1) LDTP00827 1.66  LDD0421 
Rho GDP-dissociation inhibitor 1 (ARHGDIA) LDTP04510 1.91  LDD0421 
Small ribosomal subunit protein eS1 (RPS3A) LDTP04913 2.50  LDD0421 
Small ribosomal subunit protein eS17 (RPS17) LDTP02302 1.71  LDD0421 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.64  LDD0421 
Small ribosomal subunit protein uS10 (RPS20) LDTP04880 2.09  LDD0421 
Small ribosomal subunit protein uS13 (RPS18) LDTP04972 2.27  LDD0421 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 10.00  LDD0421 
Ubiquitin-ribosomal protein eS31 fusion protein (RPS27A) LDTP05033 1.54  LDD0421 
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⏷ Show the Full List of 29 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
 LDD0421 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [2]
Quantitative Method
LFQ
Competitor Name
Afatinib
 Competitor Info 
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
 LDD0456 
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.
2 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.