Details of the Probe

General Information of Probe

Probe ID
LDPC0217
Probe Name
EN
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 524.581
Lipid-water partition coefficient (xlogp) 5.0545
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C29H28N6O4
Canonical SMILES
C#CCCC1(CCC(=O)Nc2ccccc2NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)N=N1
InChI
InChI=1S/C29H28N6O4/c1-2-3-15-29(34-35-29)16-14-26(36)32-24-8-4-5-9-25(24)33-27(37)23-12-10-21(11-13-23)19-31-28(38)39-20-22-7-6-17-30-18-22/h1,4-13,17-18H,3,14-16,19-20H2,(H,31,38)(H,32,36)(H,33,37)
InChIKey
QRLLLXVYBOECNO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

12 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine kinase (ADK) LDTP04689 1.82  LDD0418 
Adenosine kinase (ADK) LDTP04689 1.82  LDD0418 
Chromodomain-helicase-DNA-binding protein 3 (CHD3) LDTP05676 3.29  LDD0418 
Chromodomain-helicase-DNA-binding protein 3 (CHD3) LDTP05676 3.29  LDD0418 
Cullin-4B (CUL4B) LDTP05950 1.97  LDD0418 
Cullin-4B (CUL4B) LDTP05950 1.97  LDD0418 
DNA primase large subunit (PRIM2) LDTP04273 1.51  LDD0418 
DNA primase large subunit (PRIM2) LDTP04273 1.51  LDD0418 
Phenylalanine--tRNA ligase beta subunit (FARSB) LDTP12586 2.09  LDD0418 
Phenylalanine--tRNA ligase beta subunit (FARSB) LDTP12586 2.09  LDD0418 
Uridine 5'-monophosphate synthase (UMPS) LDTP02548 1.61  LDD0418 
Uridine 5'-monophosphate synthase (UMPS) LDTP02548 1.61  LDD0418 
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⏷ Show the Full List of 12 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Exportin-T (XPOT) LDTP00810 1.55  LDD0418 
Exportin-T (XPOT) LDTP00810 1.55  LDD0418 
Kinesin-1 heavy chain (KIF5B) LDTP03664 1.55  LDD0418 
Kinesin-1 heavy chain (KIF5B) LDTP03664 1.55  LDD0418 
Nucleoprotein TPR (TPR) LDTP02612 1.51  LDD0418 
Nucleoprotein TPR (TPR) LDTP02612 1.51  LDD0418 
Sideroflexin-1 (SFXN1) LDTP12090 2.19  LDD0418 
Sideroflexin-1 (SFXN1) LDTP12090 2.19  LDD0418 
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⏷ Show the Full List of 8 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
SWI/SNF complex subunit SMARCC1 (SMARCC1) LDTP09932 1.60  LDD0418 
SWI/SNF complex subunit SMARCC1 (SMARCC1) LDTP09932 1.60  LDD0418 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cleavage and polyadenylation specificity factor subunit 7 (CPSF7) LDTP08922 1.51  LDD0418 
Cleavage and polyadenylation specificity factor subunit 7 (CPSF7) LDTP08922 1.51  LDD0418 
Perilipin-3 (PLIN3) LDTP01021 1.71  LDD0418 
Perilipin-3 (PLIN3) LDTP01021 1.71  LDD0418 
Serpin B6 (SERPINB6) LDTP03719 2.46  LDD0418 
Serpin B6 (SERPINB6) LDTP03719 2.46  LDD0418 
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⏷ Show the Full List of 6 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0163  Entinostat 50 uM Human hepatoblastoma cell lysate (Hep-G2) [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
5 uM
Quantitative Method
SILAC
Competitor Name
Entinostat
 Competitor Info 
Competitor Concentration
50 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Liver
Disease Model
Hepatoblastoma [ICD-11:DB91]
Model Name
Human hepatoblastoma cell lysate (Hep-G2)
Interaction Atlas ID
 LDD0418 
Download The Altas

References

1 Expanding the "minimalist" small molecule tagging approach to different bioactive compounds. Org Biomol Chem. 2019 Mar 13;17(11):3010-3017. doi: 10.1039/c8ob03175d.