Details of the Probe

General Information of Probe

Probe ID
LDPC0131
Probe Name
Probe 3
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 792.556
Lipid-water partition coefficient (xlogp) -1.8102
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 24
Chemical Identifiers
Formula
C27H30N12O13P2-2
Canonical SMILES
C#CCCC1(CCNc2ncnc3c2ncn3C2OC3COP(=O)([O-])OC4C(O)C(COP(=O)([O-])OC3C2O)OC4n2cnc3c(=O)[nH]c(N)nc32)N=N1
InChI
InChI=1S/C27H32N12O13P2/c1-2-3-4-27(36-37-27)5-6-29-20-14-21(31-9-30-20)38(10-32-14)24-17(41)18-13(50-24)8-48-54(45,46)52-19-16(40)12(7-47-53(43,44)51-18)49-25(19)39-11-33-15-22(39)34-26(28)35-23(15)42/h1,9-13,16-19,24-25,40-41H,3-8H2,(H,43,44)(H,45,46)(H,29,30,31)(H3,28,34,35,42)/p-2/t12-,13-,16+,17?,18+,19?,24-,25-/m1/s1
InChIKey
NHVDGNBQWLRISX-BFABKECKSA-L

The Probe Interaction Atlas

Target(s) List of this Probe

3 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A (GSPT1) LDTP02770 N.A.  LDD0195 
HBS1-like protein (HBS1L) LDTP14019 N.A.  LDD0195 
Oxidoreductase HTATIP2 (HTATIP2) LDTP11247 N.A.  LDD0195 
------------------------------------------------------------------------------------
1 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Elongation factor 1-delta (EEF1D) LDTP03499 N.A.  LDD0195 
------------------------------------------------------------------------------------

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0101  23-cGAMP 1 mM Human endocervical adenocarcinoma cell lysate (HeLa) [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
10 uM
Quantitative Method
SILAC
Competitor Name
23-cGAMP
 Competitor Info 
Competitor Concentration
1 mM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Cervix uteri
Disease Model
Endocervical adenocarcinoma [ICD-11:2C77]
Model Name
Human endocervical adenocarcinoma cell lysate (HeLa)
Interaction Atlas ID
 LDD0195 
Download The Altas

References

1 A photoaffinity labeling strategy identified EF1A1 as a binding protein of cyclic dinucleotide 2'3'-cGAMP. Cell Chem Biol. 2022 Jan 20;29(1):133-144.e20. doi: 10.1016/j.chembiol.2021.08.006. Epub 2021 Sep 2.