Details of the Probe

General Information of Probe

Probe ID
LDPC0194
Probe Name
SAHA-CA-8PAP
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 933.417
Lipid-water partition coefficient (xlogp) 5.08012
Rotatable Bond Count (rotbonds) 30
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C41H57ClN10O13
Canonical SMILES
Cc1ccc(CN(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCC(=O)NO)cc2)cc1N=[N+]=[N-]
InChI
InChI=1S/C41H57ClN10O13/c1-30-8-9-31(28-34(30)49-51-43)29-52(37(55)32-10-12-33(13-11-32)48-35(53)14-15-36(54)50-60)21-17-44-38(56)64-26-19-46-39(57)62-23-6-7-24-63-40(58)47-20-27-65-41(59)45-18-25-61-22-5-3-2-4-16-42/h6-13,28,60H,2-5,14-27,29H2,1H3,(H,44,56)(H,45,59)(H,46,57)(H,47,58)(H,48,53)(H,50,54)/b7-6+
InChIKey
CCABJGSKVCTQMU-VOTSOKGWSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

30 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-aminoethanethiol dioxygenase (ADO) LDTP10828 31.60  LDD0362 
2-aminoethanethiol dioxygenase (ADO) LDTP10828 31.60  LDD0362 
Dynamin-2 (DNM2) LDTP04374 6.50  LDD0362 
Dynamin-2 (DNM2) LDTP04374 6.50  LDD0362 
Histone deacetylase 1 (HDAC1) LDTP05918 25.43  LDD0362 
Histone deacetylase 1 (HDAC1) LDTP05918 25.43  LDD0362 
Histone deacetylase 2 (HDAC2) LDTP09865 18.68  LDD0362 
Histone deacetylase 2 (HDAC2) LDTP09865 18.68  LDD0362 
Histone deacetylase 3 (HDAC3) LDTP00622 N.A.  LDD0362 
Histone deacetylase 3 (HDAC3) LDTP00622 N.A.  LDD0362 
Histone deacetylase 6 (HDAC6) LDTP13136 37.20  LDD0362 
Histone deacetylase 6 (HDAC6) LDTP13136 37.20  LDD0362 
Histone deacetylase 8 (HDAC8) LDTP11433 17.50  LDD0362 
Histone deacetylase 8 (HDAC8) LDTP11433 17.50  LDD0362 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 5.94  LDD0362 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 5.94  LDD0362 
Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 17.33  LDD0362 
Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 17.33  LDD0362 
Methionine synthase (MTR) LDTP10951 4.33  LDD0362 
Methionine synthase (MTR) LDTP10951 4.33  LDD0362 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 4.14  LDD0362 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 4.14  LDD0362 
Probable hydrolase PNKD (PNKD) LDTP08858 11.00  LDD0362 
Probable hydrolase PNKD (PNKD) LDTP08858 11.00  LDD0362 
Ras-related protein Rab-14 (RAB14) LDTP04901 N.A.  LDD0362 
Ras-related protein Rab-14 (RAB14) LDTP04901 N.A.  LDD0362 
Ras-related protein Rab-8A (RAB8A) LDTP04888 N.A.  LDD0362 
Ras-related protein Rab-8A (RAB8A) LDTP04888 N.A.  LDD0362 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 5.50  LDD0362 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 5.50  LDD0362 
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⏷ Show the Full List of 30 Enzyme
12 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Fatty acid-binding protein 5 (FABP5) LDTP05292 N.A.  LDD0362 
Fatty acid-binding protein 5 (FABP5) LDTP05292 N.A.  LDD0362 
Importin subunit alpha-3 (KPNA4) LDTP00328 4.50  LDD0362 
Importin subunit alpha-3 (KPNA4) LDTP00328 4.50  LDD0362 
Importin-9 (IPO9) LDTP10663 5.50  LDD0362 
Importin-9 (IPO9) LDTP10663 5.50  LDD0362 
Large neutral amino acids transporter small subunit 1 (SLC7A5) LDTP05305 5.50  LDD0362 
Large neutral amino acids transporter small subunit 1 (SLC7A5) LDTP05305 5.50  LDD0362 
Nuclear pore complex protein Nup160 (NUP160) LDTP05642 4.00  LDD0362 
Nuclear pore complex protein Nup160 (NUP160) LDTP05642 4.00  LDD0362 
Protein transport protein Sec31A (SEC31A) LDTP01478 4.67  LDD0362 
Protein transport protein Sec31A (SEC31A) LDTP01478 4.67  LDD0362 
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⏷ Show the Full List of 12 Transporter and channel
4 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Mesoderm induction early response protein 1 (MIER1) LDTP08741 N.A.  LDD0362 
Mesoderm induction early response protein 1 (MIER1) LDTP08741 N.A.  LDD0362 
Metastasis-associated protein MTA2 (MTA2) LDTP01414 N.A.  LDD0362 
Metastasis-associated protein MTA2 (MTA2) LDTP01414 N.A.  LDD0362 
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32 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 5.00  LDD0362 
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 5.00  LDD0362 
Desmocollin-1 (DSC1) LDTP05567 7.00  LDD0362 
Desmocollin-1 (DSC1) LDTP05567 7.00  LDD0362 
Desmoglein-1 (DSG1) LDTP05353 4.13  LDD0362 
Desmoglein-1 (DSG1) LDTP05353 4.13  LDD0362 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 4.33  LDD0362 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 4.33  LDD0362 
F-box-like/WD repeat-containing protein TBL1XR1 (TBL1XR1) LDTP11544 N.A.  LDD0362 
F-box-like/WD repeat-containing protein TBL1XR1 (TBL1XR1) LDTP11544 N.A.  LDD0362 
Fanconi anemia group I protein (FANCI) LDTP12680 4.20  LDD0362 
Fanconi anemia group I protein (FANCI) LDTP12680 4.20  LDD0362 
Filaggrin-2 (FLG2) LDTP06958 5.00  LDD0362 
Filaggrin-2 (FLG2) LDTP06958 5.00  LDD0362 
Involucrin (IVL) LDTP02207 N.A.  LDD0362 
Involucrin (IVL) LDTP02207 N.A.  LDD0362 
Junction plakoglobin (JUP) LDTP02756 5.71  LDD0362 
Junction plakoglobin (JUP) LDTP02756 5.71  LDD0362 
Nuclear speckle splicing regulatory protein 1 (NSRP1) LDTP11709 5.50  LDD0362 
Nuclear speckle splicing regulatory protein 1 (NSRP1) LDTP11709 5.50  LDD0362 
Paired amphipathic helix protein Sin3a (SIN3A) LDTP10823 N.A.  LDD0362 
Paired amphipathic helix protein Sin3a (SIN3A) LDTP10823 N.A.  LDD0362 
Protein S100-A9 (S100A9) LDTP02152 N.A.  LDD0362 
Protein S100-A9 (S100A9) LDTP02152 N.A.  LDD0362 
Protein unc-45 homolog A (UNC45A) LDTP11890 4.50  LDD0362 
Protein unc-45 homolog A (UNC45A) LDTP11890 4.50  LDD0362 
Serpin B3 (SERPINB3) LDTP03493 N.A.  LDD0362 
Serpin B3 (SERPINB3) LDTP03493 N.A.  LDD0362 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 N.A.  LDD0362 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 N.A.  LDD0362 
Tubulin beta-2A chain (TUBB2A) LDTP05998 N.A.  LDD0362 
Tubulin beta-2A chain (TUBB2A) LDTP05998 N.A.  LDD0362 
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⏷ Show the Full List of 32 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0096  SAHA 20 uM Human chronic myeloid leukemia cell lysate (K562) [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
LFQ
Competitor Name
SAHA
 Competitor Info 
Competitor Concentration
20 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model
Chronic myeloid leukemia [ICD-11:2A20]
Model Name
Human chronic myeloid leukemia cell lysate (K562)
Interaction Atlas ID
 LDD0362 
Download The Altas

References

1 Streamlined Target Deconvolution Approach Utilizing a Single Photoreactive Chloroalkane Capture Tag. ACS Chem Biol. 2021 Feb 19;16(2):404-413. doi: 10.1021/acschembio.0c00987. Epub 2021 Feb 5.