Details of the Probe

General Information of Probe

Probe ID
LDPC0034
Probe Name
2PCA
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 431.562
Lipid-water partition coefficient (xlogp) 1.2641
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H29N5O3S
Canonical SMILES
O=Cc1cccc(CN2CCN(C(=O)CCCCC3SCC4NC(=O)NC43)CC2)n1
InChI
InChI=1S/C21H29N5O3S/c27-13-16-5-3-4-15(22-16)12-25-8-10-26(11-9-25)19(28)7-2-1-6-18-20-17(14-30-18)23-21(29)24-20/h3-5,13,17-18,20H,1-2,6-12,14H2,(H2,23,24,29)/t17-,18-,20-/m0/s1
InChIKey
YXEGJJGSBFDZHN-BJLQDIEVSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

8 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Actin, alpha cardiac muscle 1 (ACTC1) LDTP05069 K20; R314; K240; R41  LDD0034 
Actin, cytoplasmic 1 (ACTB) LDTP04876 K238; R312; R95; K18  LDD0034 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 R321; K395; K219  LDD0034 
Frataxin, mitochondrial (FXN) LDTP06569 K80  LDD0034 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 K117  LDD0034 
Prothrombin (F2) LDTP01790 R383; K599; K559  LDD0034 
Pyruvate kinase PKM (PKM) LDTP02733 K230  LDD0034 
Tubulin alpha-1B chain (TUBA1B) LDTP05074 K352; R64; R264  LDD0034 
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⏷ Show the Full List of 8 Enzyme
3 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 K481  LDD0034 
Hemoglobin subunit alpha (HBA1; HBA2) LDTP05084 K17; R32; K41  LDD0034 
Vitronectin (VTN) LDTP01999 R197  LDD0034 
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1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
High mobility group protein B1 (HMGB1) LDTP02343 K128  LDD0034 
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20 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
10 kDa heat shock protein, mitochondrial (HSPE1) LDTP04931 R20  LDD0034 
Adenylyl cyclase-associated protein 1 (CAP1) LDTP05294 R330; K377  LDD0034 
Albumin (ALB) LDTP01963 K286  LDD0034 
Cofilin-1 (CFL1) LDTP03244 K34  LDD0034 
Coronin-1A (CORO1A) LDTP03573 K324  LDD0034 
Hemoglobin subunit epsilon (HBE1) LDTP01922 R31  LDD0034 
Heterogeneous nuclear ribonucleoprotein D0 (HNRNPD) LDTP06032 K183  LDD0034 
Heterogeneous nuclear ribonucleoproteins A2/B1 (HNRNPA2B1) LDTP03182 K186  LDD0034 
Histone H1.4 (H1-4) LDTP02494 K110; K85  LDD0034 
Histone H1.5 (H1-5) LDTP02843 K88; K113; K66  LDD0034 
Histone H2B type 2-E (H2BC21) LDTP06628 K58; R100; K109  LDD0034 
Large ribosomal subunit protein eL29 (RPL29) LDTP04140 K92  LDD0034 
Nucleolin (NCL) LDTP02990 K486  LDD0034 
POTE ankyrin domain family member E (POTEE) LDTP07634 K938; K718  LDD0034 
Profilin-1 (PFN1) LDTP02218 K26  LDD0034 
RNA-binding protein FUS (FUS) LDTP03775 K348  LDD0034 
Small ribosomal subunit protein eS28 (RPS28) LDTP05015 R20  LDD0034 
Small ribosomal subunit protein uS11 (RPS14) LDTP04970 K125  LDD0034 
T-complex protein 1 subunit gamma (CCT3) LDTP04249 K248  LDD0034 
Tubulin beta chain (TUBB) LDTP02205 R282  LDD0034 
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⏷ Show the Full List of 20 Other

Full Information of The Labelling Profiles of This Probe

Qualitation: Labeling site identification
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model
Acute monocytic leukemia [ICD-11:2A60]
Model Name
Human acute monocytic leukemia cell lysate (THP-1)
Interaction Atlas ID
 LDD0034 
Download The Altas

References

1 Unveiling the Multifaceted Capabilities of Endophytic Aspergillus flavus Isolated from Annona squamosa Fruit Peels against Staphylococcus Isolates and HCoV 229E-In Vitro and In Silico Investigations. Pharmaceuticals (Basel). 2024 May 19;17(5):656. doi: 10.3390/ph17050656.
Mass spectrometry data entry: PXD013019