Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0101
Competitor Name
23-cGAMP
Synonyms
2',3'-cGAMP; 1441190-66-4; EX-A5302; HY-100564; CS-0019708; (1R,6R,8R,9R,10S,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-2,4,7,11,13,16-hexaoxa-3??,12??-diphosphatricyclo[13.2.1.0?,(1)?]octadecane-3,12-dione
Structure
2D MOL
Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 674.4
Lipid-water partition coefficient (xlogp) -5.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 19
Chemical Identifiers
Formula
C20H24N10O13P2
IUPAC Name
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
Canonical SMILES
C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O)O
InChI
InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10?,11-,12-,13-,18-,19-/m1/s1
InChIKey
XRILCFTWUCUKJR-WGKJRFPRSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
Probe 3
 Probe Info  		10 uM Human endocervical adenocarcinoma cell lysate (HeLa) [1]

Target(s) List of this Competitor

3 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A (GSPT1) LDTP02770 .  LDD0195 
HBS1-like protein (HBS1L) LDTP14019 .  LDD0195 
Oxidoreductase HTATIP2 (HTATIP2) LDTP11247 .  LDD0195 
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1 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Elongation factor 1-delta (EEF1D) LDTP03499 .  LDD0195 
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Full Information of The Labelling Profiles of This Competitor

Probe 3
 Probe Info 
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 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.