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

15 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-aminoethanethiol dioxygenase (ADO) LDTP10828 31.60  LDD0362 
Dynamin-2 (DNM2) LDTP04374 6.50  LDD0362 
Histone deacetylase 1 (HDAC1) LDTP05918 25.43  LDD0362 
Histone deacetylase 2 (HDAC2) LDTP09865 18.68  LDD0362 
Histone deacetylase 3 (HDAC3) LDTP00622 N.A.  LDD0362 
Histone deacetylase 6 (HDAC6) LDTP13136 37.20  LDD0362 
Histone deacetylase 8 (HDAC8) LDTP11433 17.50  LDD0362 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 5.94  LDD0362 
Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 17.33  LDD0362 
Methionine synthase (MTR) LDTP10951 4.33  LDD0362 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 4.14  LDD0362 
Probable hydrolase PNKD (PNKD) LDTP08858 11.00  LDD0362 
Ras-related protein Rab-14 (RAB14) LDTP04901 N.A.  LDD0362 
Ras-related protein Rab-8A (RAB8A) LDTP04888 N.A.  LDD0362 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 5.50  LDD0362 
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⏷ Show the Full List of 15 Enzyme
6 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 
Importin subunit alpha-3 (KPNA4) LDTP00328 4.50  LDD0362 
Importin-9 (IPO9) LDTP10663 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 
Protein transport protein Sec31A (SEC31A) LDTP01478 4.67  LDD0362 
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⏷ Show the Full List of 6 Transporter and channel
2 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 
Metastasis-associated protein MTA2 (MTA2) LDTP01414 N.A.  LDD0362 
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16 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 
Desmocollin-1 (DSC1) LDTP05567 7.00  LDD0362 
Desmoglein-1 (DSG1) LDTP05353 4.13  LDD0362 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 4.33  LDD0362 
F-box-like/WD repeat-containing protein TBL1XR1 (TBL1XR1) LDTP11544 N.A.  LDD0362 
Fanconi anemia group I protein (FANCI) LDTP12680 4.20  LDD0362 
Filaggrin-2 (FLG2) LDTP06958 5.00  LDD0362 
Involucrin (IVL) LDTP02207 N.A.  LDD0362 
Junction plakoglobin (JUP) LDTP02756 5.71  LDD0362 
Nuclear speckle splicing regulatory protein 1 (NSRP1) LDTP11709 5.50  LDD0362 
Paired amphipathic helix protein Sin3a (SIN3A) LDTP10823 N.A.  LDD0362 
Protein S100-A9 (S100A9) LDTP02152 N.A.  LDD0362 
Protein unc-45 homolog A (UNC45A) LDTP11890 4.50  LDD0362 
Serpin B3 (SERPINB3) LDTP03493 N.A.  LDD0362 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 N.A.  LDD0362 
Tubulin beta-2A chain (TUBB2A) LDTP05998 N.A.  LDD0362 
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⏷ Show the Full List of 16 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.