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

16 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, alpha cardiac muscle 1 (ACTC1) LDTP05069 K20; R314; K240; R41  LDD0034 
Actin, cytoplasmic 1 (ACTB) LDTP04876 K238; R312; R95; K18  LDD0034 
Actin, cytoplasmic 1 (ACTB) LDTP04876 K238; R312; R95; K18  LDD0034 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 R321; K395; K219  LDD0034 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 R321; K395; K219  LDD0034 
Frataxin, mitochondrial (FXN) LDTP06569 K80  LDD0034 
Frataxin, mitochondrial (FXN) LDTP06569 K80  LDD0034 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 K117  LDD0034 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 K117  LDD0034 
Prothrombin (F2) LDTP01790 R383; K599; K559  LDD0034 
Prothrombin (F2) LDTP01790 R383; K599; K559  LDD0034 
Pyruvate kinase PKM (PKM) LDTP02733 K230  LDD0034 
Pyruvate kinase PKM (PKM) LDTP02733 K230  LDD0034 
Tubulin alpha-1B chain (TUBA1B) LDTP05074 K352; R64; R264  LDD0034 
Tubulin alpha-1B chain (TUBA1B) LDTP05074 K352; R64; R264  LDD0034 
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⏷ Show the Full List of 16 Enzyme
6 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 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 K481  LDD0034 
Hemoglobin subunit alpha (HBA1; HBA2) LDTP05084 K17; R32; K41  LDD0034 
Hemoglobin subunit alpha (HBA1; HBA2) LDTP05084 K17; R32; K41  LDD0034 
Vitronectin (VTN) LDTP01999 R197  LDD0034 
Vitronectin (VTN) LDTP01999 R197  LDD0034 
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⏷ Show the Full List of 6 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
High mobility group protein B1 (HMGB1) LDTP02343 K128  LDD0034 
High mobility group protein B1 (HMGB1) LDTP02343 K128  LDD0034 
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40 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
10 kDa heat shock protein, mitochondrial (HSPE1) LDTP04931 R20  LDD0034 
10 kDa heat shock protein, mitochondrial (HSPE1) LDTP04931 R20  LDD0034 
Adenylyl cyclase-associated protein 1 (CAP1) LDTP05294 R330; K377  LDD0034 
Adenylyl cyclase-associated protein 1 (CAP1) LDTP05294 R330; K377  LDD0034 
Albumin (ALB) LDTP01963 K286  LDD0034 
Albumin (ALB) LDTP01963 K286  LDD0034 
Cofilin-1 (CFL1) LDTP03244 K34  LDD0034 
Cofilin-1 (CFL1) LDTP03244 K34  LDD0034 
Coronin-1A (CORO1A) LDTP03573 K324  LDD0034 
Coronin-1A (CORO1A) LDTP03573 K324  LDD0034 
Hemoglobin subunit epsilon (HBE1) LDTP01922 R31  LDD0034 
Hemoglobin subunit epsilon (HBE1) LDTP01922 R31  LDD0034 
Heterogeneous nuclear ribonucleoprotein D0 (HNRNPD) LDTP06032 K183  LDD0034 
Heterogeneous nuclear ribonucleoprotein D0 (HNRNPD) LDTP06032 K183  LDD0034 
Heterogeneous nuclear ribonucleoproteins A2/B1 (HNRNPA2B1) LDTP03182 K186  LDD0034 
Heterogeneous nuclear ribonucleoproteins A2/B1 (HNRNPA2B1) LDTP03182 K186  LDD0034 
Histone H1.4 (H1-4) LDTP02494 K110; K85  LDD0034 
Histone H1.4 (H1-4) LDTP02494 K110; K85  LDD0034 
Histone H1.5 (H1-5) LDTP02843 K88; K113; K66  LDD0034 
Histone H1.5 (H1-5) LDTP02843 K88; K113; K66  LDD0034 
Histone H2B type 2-E (H2BC21) LDTP06628 K58; R100; K109  LDD0034 
Histone H2B type 2-E (H2BC21) LDTP06628 K58; R100; K109  LDD0034 
Large ribosomal subunit protein eL29 (RPL29) LDTP04140 K92  LDD0034 
Large ribosomal subunit protein eL29 (RPL29) LDTP04140 K92  LDD0034 
Nucleolin (NCL) LDTP02990 K486  LDD0034 
Nucleolin (NCL) LDTP02990 K486  LDD0034 
POTE ankyrin domain family member E (POTEE) LDTP07634 K938; K718  LDD0034 
POTE ankyrin domain family member E (POTEE) LDTP07634 K938; K718  LDD0034 
Profilin-1 (PFN1) LDTP02218 K26  LDD0034 
Profilin-1 (PFN1) LDTP02218 K26  LDD0034 
RNA-binding protein FUS (FUS) LDTP03775 K348  LDD0034 
RNA-binding protein FUS (FUS) LDTP03775 K348  LDD0034 
Small ribosomal subunit protein eS28 (RPS28) LDTP05015 R20  LDD0034 
Small ribosomal subunit protein eS28 (RPS28) LDTP05015 R20  LDD0034 
Small ribosomal subunit protein uS11 (RPS14) LDTP04970 K125  LDD0034 
Small ribosomal subunit protein uS11 (RPS14) LDTP04970 K125  LDD0034 
T-complex protein 1 subunit gamma (CCT3) LDTP04249 K248  LDD0034 
T-complex protein 1 subunit gamma (CCT3) LDTP04249 K248  LDD0034 
Tubulin beta chain (TUBB) LDTP02205 R282  LDD0034 
Tubulin beta chain (TUBB) LDTP02205 R282  LDD0034 
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⏷ Show the Full List of 40 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