Details of the Probe

General Information of Probe

Probe ID
LDPC0177
Probe Name
Cep-alkyne
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 516.639
Lipid-water partition coefficient (xlogp) 0.3647
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C27H40N4O6
Canonical SMILES
C#CCCCCCC=CC=CC(=O)NC(C(=O)NC1CC(O)CCNC(=O)C=CC(C)NC1=O)C(C)O
InChI
InChI=1S/C27H40N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h1,10-15,19-22,25,32-33H,5-9,16-18H2,2-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b11-10+,13-12+,15-14-/t19-,20+,21-,22-,25-/m0/s1
InChIKey
WYIPRIZMTCTBJK-QQXADAIISA-N

The Probe Interaction Atlas

Target(s) List of this Probe

5 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Proteasome subunit alpha type-5 (PSMA5) LDTP03413 2.42  LDD0284 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 2.14  LDD0284 
Proteasome subunit beta type-10 (PSMB10) LDTP03893 3.27  LDD0284 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 2.14  LDD0284 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 6.62  LDD0284 
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Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0122  Cepafungin 1 100 nM Human plasma cell myeloma cells (RPMI-8226) [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
LFQ
Competitor Name
Cepafungin 1
 Competitor Info 
Competitor Concentration
100 nM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Plasma cell myeloma [ICD-11:2A83]
Model Name
Human plasma cell myeloma cells (RPMI-8226)
Interaction Atlas ID
 LDD0284 
Download The Altas

References

1 Concise Chemoenzymatic Total Synthesis and Identification of Cellular Targets of Cepafungin I. Cell Chem Biol. 2020 Oct 15;27(10):1318-1326.e18. doi: 10.1016/j.chembiol.2020.07.012. Epub 2020 Aug 6.