Details of the Probe

General Information of Probe

Probe ID
LDPC0228
Probe Name
Nap-2
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 758.694
Lipid-water partition coefficient (xlogp) 6.8376
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C41H32BrN3O5S
Canonical SMILES
C#CCCC(=O)NC(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(c23)C1=O
InChI
InChI=1S/C41H32BrN3O5S/c1-2-3-12-36(46)44-34(25-26-13-15-28(16-14-26)38(47)27-8-5-4-6-9-27)39(48)43-23-24-45-40(49)32-11-7-10-31-35(22-21-33(37(31)32)41(45)50)51-30-19-17-29(42)18-20-30/h1,4-11,13-22,34H,3,12,23-25H2,(H,43,48)(H,44,46)
InChIKey
HKIBCRDMLWSDDF-UHFFFAOYSA-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
Actin, aortic smooth muscle (ACTA2) LDTP04999 N.A.  LDD0435 
Actin, aortic smooth muscle (ACTA2) LDTP04999 N.A.  LDD0435 
Alpha-enolase (ENO1) LDTP02159 N.A.  LDD0435 
Alpha-enolase (ENO1) LDTP02159 N.A.  LDD0435 
Eukaryotic initiation factor 4A-I (EIF4A1) LDTP04878 N.A.  LDD0435 
Eukaryotic initiation factor 4A-I (EIF4A1) LDTP04878 N.A.  LDD0435 
Putative elongation factor 1-alpha-like 3 (EEF1A1P5) LDTP15029 N.A.  LDD0435 
Putative elongation factor 1-alpha-like 3 (EEF1A1P5) LDTP15029 N.A.  LDD0435 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 N.A.  LDD0435 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 N.A.  LDD0435 
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⏷ Show the Full List of 10 Enzyme
6 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Desmoplakin (DSP) LDTP02815 N.A.  LDD0435 
Desmoplakin (DSP) LDTP02815 N.A.  LDD0435 
Filamin-A (FLNA) LDTP03107 N.A.  LDD0435 
Filamin-A (FLNA) LDTP03107 N.A.  LDD0435 
Hsp90 co-chaperone Cdc37 (CDC37) LDTP06549 N.A.  LDD0435 
Hsp90 co-chaperone Cdc37 (CDC37) LDTP06549 N.A.  LDD0435 
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⏷ Show the Full List of 6 Transporter and channel
4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Junction plakoglobin (JUP) LDTP02756 N.A.  LDD0435 
Junction plakoglobin (JUP) LDTP02756 N.A.  LDD0435 
Ribonuclease inhibitor (RNH1) LDTP02656 N.A.  LDD0435 
Ribonuclease inhibitor (RNH1) LDTP02656 N.A.  LDD0435 
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Full Information of The Labelling Profiles of This Probe

Quantification: AfBPP Probe vs Negative Probe
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
Probe: 10uM; negative probe:50uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Breast
Disease Model
Invasive breast carcinoma [ICD-11:2C60]
Model Name
Human invasive breast carcinoma cells (MCF-7)
Note
Negative probe:CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C(=O)C3=C4C(=C(C=C3)SC5=CC=C(C=C5)Br)C=CC=C4C2=O
Interaction Atlas ID
 LDD0435 
Download The Altas

References

1 Proteome-Wide Identification of On- and Off-Targets of Bcl-2 Inhibitors in Native Biological Systems by Using Affinity-Based Probes (AfBPs). Chembiochem. 2018 Nov 2;19(21):2312-2320. doi: 10.1002/cbic.201800380. Epub 2018 Oct 18.