Details of the Probe

General Information of Probe

Probe ID
LDPC0227
Probe Name
CR-1
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 562.718
Lipid-water partition coefficient (xlogp) 6.118
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C34H38N6O2
Canonical SMILES
C#CCCC1(CCNC2CCN(c3cccc4ccc(-n5cnc6cc(OCC7(C)COC7)ccc65)cc34)CC2)N=N1
InChI
InChI=1S/C34H38N6O2/c1-3-4-14-34(37-38-34)15-16-35-26-12-17-39(18-13-26)31-7-5-6-25-8-9-27(19-29(25)31)40-24-36-30-20-28(10-11-32(30)40)42-23-33(2)21-41-22-33/h1,5-11,19-20,24,26,35H,4,12-18,21-23H2,2H3
InChIKey
SNBJBCHCPLHYDH-UHFFFAOYSA-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
Citrate synthase, mitochondrial (CS) LDTP01205 3.35  LDD0429 
Mitogen-activated protein kinase 1 (MAPK1) LDTP03445 3.49  LDD0429 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 3.54  LDD0429 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 4.49  LDD0429 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 2.60  LDD0429 
Pyrroline-5-carboxylate reductase 2 (PYCR2) LDTP10159 3.05  LDD0429 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 3.24  LDD0429 
Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCHL3) LDTP02783 3.74  LDD0430 
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⏷ Show the Full List of 8 Enzyme
2 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
14-3-3 protein theta (YWHAQ) LDTP03385 3.01  LDD0429 
AP-2 complex subunit alpha-2 (AP2A2) LDTP01477 3.19  LDD0429 
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10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
10 kDa heat shock protein, mitochondrial (HSPE1) LDTP04931 2.88  LDD0430 
Cell cycle and apoptosis regulator protein 2 (CCAR2) LDTP08760 3.24  LDD0429 
Chromatin target of PRMT1 protein (CHTOP) LDTP14014 3.12  LDD0430 
Cofilin-1 (CFL1) LDTP03244 2.58  LDD0429 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 2.53  LDD0430 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 3.15  LDD0429 
Histone H1.2 (H1-2) LDTP02845 3.03  LDD0429 
Large ribosomal subunit protein eL28 (RPL28) LDTP04108 3.20  LDD0429 
LIM domain-containing protein 2 (LIMD2) LDTP11179 2.76  LDD0430 
Moesin (MSN) LDTP03346 4.56  LDD0429 
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⏷ Show the Full List of 10 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0168  Crenolanib 10 uM Human lung squamous cell carcinoma cells (NCI-H1703) [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
1 uM
Quantitative Method
SILAC
Competitor Name
Crenolanib
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Lung
Disease Model
Lung squamous cell carcinoma [ICD-11:2C25]
Model Name
Human lung squamous cell carcinoma cells (NCI-H1703)
Interaction Atlas ID
 LDD0429 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
1 uM
Quantitative Method
SILAC
Competitor Name
Crenolanib
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Acute monocytic leukemia [ICD-11:2A60]
Model Name
Human acute monocytic leukemia cells (MV4-11)
Interaction Atlas ID
 LDD0430 
Download The Altas

References

1 Crenolanib-Derived Probes Suitable for Cell- and Tissue-Based Protein Profiling and Single-Cell Imaging. Chembiochem. 2019 Jul 15;20(14):1783-1788. doi: 10.1002/cbic.201900067. Epub 2019 Jul 3.