Details of the Probe

General Information of Probe

Probe ID
LDPC0195
Probe Name
SAHA-CA-3PAP
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 884.385
Lipid-water partition coefficient (xlogp) 3.5919
Rotatable Bond Count (rotbonds) 31
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 15
Chemical Identifiers
Formula
C38H58ClN9O13
Canonical SMILES
CC1(CCCN(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCC(=O)NO)cc2)N=N1
InChI
InChI=1S/C38H58ClN9O13/c1-38(46-47-38)15-8-21-48(33(51)29-9-11-30(12-10-29)44-31(49)13-14-32(50)45-56)22-17-40-34(52)60-27-19-42-35(53)58-24-6-7-25-59-36(54)43-20-28-61-37(55)41-18-26-57-23-5-3-2-4-16-39/h6-7,9-12,56H,2-5,8,13-28H2,1H3,(H,40,52)(H,41,55)(H,42,53)(H,43,54)(H,44,49)(H,45,50)/b7-6+
InChIKey
GLLNPFHWKYJHNO-VOTSOKGWSA-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
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial (DLAT) LDTP02497 4.00  LDD0363 
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial (DLAT) LDTP02497 4.00  LDD0363 
Histone deacetylase 1 (HDAC1) LDTP05918 N.A.  LDD0363 
Histone deacetylase 1 (HDAC1) LDTP05918 N.A.  LDD0363 
Histone deacetylase 2 (HDAC2) LDTP09865 8.71  LDD0363 
Histone deacetylase 2 (HDAC2) LDTP09865 8.71  LDD0363 
Histone deacetylase 6 (HDAC6) LDTP13136 N.A.  LDD0363 
Histone deacetylase 6 (HDAC6) LDTP13136 N.A.  LDD0363 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 10.37  LDD0363 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 10.37  LDD0363 
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⏷ Show the Full List of 10 Enzyme
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Metastasis-associated protein MTA2 (MTA2) LDTP01414 N.A.  LDD0363 
Metastasis-associated protein MTA2 (MTA2) LDTP01414 N.A.  LDD0363 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Paired amphipathic helix protein Sin3a (SIN3A) LDTP10823 N.A.  LDD0363 
Paired amphipathic helix protein Sin3a (SIN3A) LDTP10823 N.A.  LDD0363 
Splicing factor 1 (SF1) LDTP06429 6.00  LDD0363 
Splicing factor 1 (SF1) LDTP06429 6.00  LDD0363 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 N.A.  LDD0363 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 N.A.  LDD0363 
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⏷ Show the Full List of 6 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
 LDD0363 
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.