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

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Citrate synthase, mitochondrial (CS) LDTP01205 3.35  LDD0429 
Citrate synthase, mitochondrial (CS) LDTP01205 3.35  LDD0429 
Mitogen-activated protein kinase 1 (MAPK1) LDTP03445 3.49  LDD0429 
Mitogen-activated protein kinase 1 (MAPK1) LDTP03445 3.49  LDD0429 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 3.54  LDD0429 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 3.54  LDD0429 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 4.49  LDD0429 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 4.49  LDD0429 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 2.60  LDD0429 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 2.60  LDD0429 
Pyrroline-5-carboxylate reductase 2 (PYCR2) LDTP10159 3.05  LDD0429 
Pyrroline-5-carboxylate reductase 2 (PYCR2) LDTP10159 3.05  LDD0429 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 3.24  LDD0429 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 3.24  LDD0429 
Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCHL3) LDTP02783 3.74  LDD0430 
Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCHL3) LDTP02783 3.74  LDD0430 
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⏷ Show the Full List of 16 Enzyme
4 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 
14-3-3 protein theta (YWHAQ) LDTP03385 3.01  LDD0429 
AP-2 complex subunit alpha-2 (AP2A2) LDTP01477 3.19  LDD0429 
AP-2 complex subunit alpha-2 (AP2A2) LDTP01477 3.19  LDD0429 
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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 2.88  LDD0430 
10 kDa heat shock protein, mitochondrial (HSPE1) LDTP04931 2.88  LDD0430 
Cell cycle and apoptosis regulator protein 2 (CCAR2) LDTP08760 3.24  LDD0429 
Cell cycle and apoptosis regulator protein 2 (CCAR2) LDTP08760 3.24  LDD0429 
Chromatin target of PRMT1 protein (CHTOP) LDTP14014 3.12  LDD0430 
Chromatin target of PRMT1 protein (CHTOP) LDTP14014 3.12  LDD0430 
Cofilin-1 (CFL1) LDTP03244 2.58  LDD0429 
Cofilin-1 (CFL1) LDTP03244 2.58  LDD0429 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 2.53  LDD0430 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 2.53  LDD0430 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 3.15  LDD0429 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 3.15  LDD0429 
Histone H1.2 (H1-2) LDTP02845 3.03  LDD0429 
Histone H1.2 (H1-2) LDTP02845 3.03  LDD0429 
Large ribosomal subunit protein eL28 (RPL28) LDTP04108 3.20  LDD0429 
Large ribosomal subunit protein eL28 (RPL28) LDTP04108 3.20  LDD0429 
LIM domain-containing protein 2 (LIMD2) LDTP11179 2.76  LDD0430 
LIM domain-containing protein 2 (LIMD2) LDTP11179 2.76  LDD0430 
Moesin (MSN) LDTP03346 4.56  LDD0429 
Moesin (MSN) LDTP03346 4.56  LDD0429 
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⏷ Show the Full List of 20 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.