Details of the Probe

General Information of Probe

Probe ID
LDPC0066
Probe Name
DFG-out-4
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 691.7
Lipid-water partition coefficient (xlogp) 7.4
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C38H32F3N7O3
IUPAC Name
N-[3-[2-[4-[2-(hex-5-ynoylamino)ethoxy]anilino]quinazolin-6-yl]-4-methylphenyl]-3-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C3(N=N3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC6=CC=C(C=C6)OCCNC(=O)CCCC#C
InChI
InChI=1S/C38H32F3N7O3/c1-3-4-5-9-34(49)42-18-19-51-31-15-13-29(14-16-31)45-36-43-23-27-20-25(11-17-33(27)46-36)32-22-30(12-10-24(32)2)44-35(50)26-7-6-8-28(21-26)37(47-48-37)38(39,40)41/h1,6-8,10-17,20-23H,4-5,9,18-19H2,2H3,(H,42,49)(H,44,50)(H,43,45,46)
InChIKey
RCKDHBTWOLIJEK-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

68 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ephrin type-A receptor 2 (EPHA2) LDTP03474 5.00  LDD0075 
Ephrin type-A receptor 2 (EPHA2) LDTP03474 5.00  LDD0075 
Ephrin type-B receptor 2 (EPHB2) LDTP03477 35.00  LDD0075 
Ephrin type-B receptor 2 (EPHB2) LDTP03477 35.00  LDD0075 
Ephrin type-B receptor 3 (EPHB3) LDTP04629 0.00  LDD0075 
Ephrin type-B receptor 3 (EPHB3) LDTP04629 0.00  LDD0075 
Ephrin type-B receptor 4 (EPHB4) LDTP04631 71.00  LDD0075 
Ephrin type-B receptor 4 (EPHB4) LDTP04631 71.00  LDD0075 
Epidermal growth factor receptor (EGFR) LDTP01785 6.10  LDD0075 
Epidermal growth factor receptor (EGFR) LDTP01785 6.10  LDD0075 
Focal adhesion kinase 1 (PTK2) LDTP05453 37.00  LDD0075 
Focal adhesion kinase 1 (PTK2) LDTP05453 37.00  LDD0075 
Hepatocyte growth factor-like protein (MST1) LDTP03375 4.60  LDD0075 
Hepatocyte growth factor-like protein (MST1) LDTP03375 4.60  LDD0075 
Mitogen-activated protein kinase 10 (MAPK10) LDTP04584 15.00  LDD0075 
Mitogen-activated protein kinase 10 (MAPK10) LDTP04584 15.00  LDD0075 
Mitogen-activated protein kinase 8 (MAPK8) LDTP04075 6.30  LDD0075 
Mitogen-activated protein kinase 8 (MAPK8) LDTP04075 6.30  LDD0075 
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) LDTP01685 0.00  LDD0075 
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) LDTP01685 0.00  LDD0075 
Myosin light chain kinase, smooth muscle (MYLK) LDTP06459 9.20  LDD0075 
Myosin light chain kinase, smooth muscle (MYLK) LDTP06459 9.20  LDD0075 
Peroxisomal multifunctional enzyme type 2 (HSD17B4) LDTP04440 0.00  LDD0075 
Peroxisomal multifunctional enzyme type 2 (HSD17B4) LDTP04440 0.00  LDD0075 
Pirin (PIR) LDTP00325 5.20  LDD0075 
Pirin (PIR) LDTP00325 5.20  LDD0075 
Protein-tyrosine kinase 2-beta (PTK2B) LDTP06100 3.90  LDD0075 
Protein-tyrosine kinase 2-beta (PTK2B) LDTP06100 3.90  LDD0075 
Protein-tyrosine kinase 6 (PTK6) LDTP05996 0.00  LDD0075 
Protein-tyrosine kinase 6 (PTK6) LDTP05996 0.00  LDD0075 
Proto-oncogene tyrosine-protein kinase Src (SRC) LDTP02638 0.00  LDD0075 
Proto-oncogene tyrosine-protein kinase Src (SRC) LDTP02638 0.00  LDD0075 
Ras-related protein Rab-1B (RAB1B) LDTP11733 4.30  LDD0075 
Ras-related protein Rab-1B (RAB1B) LDTP11733 4.30  LDD0075 
Ras-related protein Rab-33B (RAB33B) LDTP11686 4.30  LDD0075 
Ras-related protein Rab-33B (RAB33B) LDTP11686 4.30  LDD0075 
Receptor tyrosine-protein kinase erbB-4 (ERBB4) LDTP06353 11.00  LDD0075 
Receptor tyrosine-protein kinase erbB-4 (ERBB4) LDTP06353 11.00  LDD0075 
Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) LDTP05917 11.00  LDD0075 
Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) LDTP05917 11.00  LDD0075 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 0.00  LDD0075 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 0.00  LDD0075 
Serine/threonine-protein kinase 10 (STK10) LDTP01420 11.00  LDD0075 
Serine/threonine-protein kinase 10 (STK10) LDTP01420 11.00  LDD0075 
Serine/threonine-protein kinase 24 (STK24) LDTP14240 2.40  LDD0075 
Serine/threonine-protein kinase 24 (STK24) LDTP14240 2.40  LDD0075 
Serine/threonine-protein kinase 26 (STK26) LDTP13031 3.80  LDD0075 
Serine/threonine-protein kinase 26 (STK26) LDTP13031 3.80  LDD0075 
Serine/threonine-protein kinase PAK 2 (PAK2) LDTP05776 2.30  LDD0075 
Serine/threonine-protein kinase PAK 2 (PAK2) LDTP05776 2.30  LDD0075 
Short-chain dehydrogenase/reductase 3 (DHRS3) LDTP01349 20.30  LDD0075 
Short-chain dehydrogenase/reductase 3 (DHRS3) LDTP01349 20.30  LDD0075 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 4.80  LDD0075 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 4.80  LDD0075 
Spermidine synthase (SRM) LDTP03008 0.00  LDD0075 
Spermidine synthase (SRM) LDTP03008 0.00  LDD0075 
STE20-like serine/threonine-protein kinase (SLK) LDTP11819 27.00  LDD0075 
STE20-like serine/threonine-protein kinase (SLK) LDTP11819 27.00  LDD0075 
TRAF2 and NCK-interacting protein kinase (TNIK) LDTP13446 3.20  LDD0075 
TRAF2 and NCK-interacting protein kinase (TNIK) LDTP13446 3.20  LDD0075 
Tyrosine-protein kinase CSK (CSK) LDTP03944 8.80  LDD0075 
Tyrosine-protein kinase CSK (CSK) LDTP03944 8.80  LDD0075 
Tyrosine-protein kinase FRK (FRK) LDTP03992 0.00  LDD0075 
Tyrosine-protein kinase FRK (FRK) LDTP03992 0.00  LDD0075 
Tyrosine-protein kinase SYK (SYK) LDTP04048 0.00  LDD0075 
Tyrosine-protein kinase SYK (SYK) LDTP04048 0.00  LDD0075 
Ubiquitin-conjugating enzyme E2 Z (UBE2Z) LDTP12046 4.00  LDD0075 
Ubiquitin-conjugating enzyme E2 Z (UBE2Z) LDTP12046 4.00  LDD0075 
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⏷ Show the Full List of 68 Enzyme
12 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 4.60  LDD0075 
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 4.60  LDD0075 
Importin-9 (IPO9) LDTP10663 5.10  LDD0075 
Importin-9 (IPO9) LDTP10663 5.10  LDD0075 
Translocator protein (TSPO) LDTP03546 21.10  LDD0075 
Translocator protein (TSPO) LDTP03546 21.10  LDD0075 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 4.90  LDD0075 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 4.90  LDD0075 
Transmembrane protein 139 (TMEM139) LDTP08479 0.00  LDD0075 
Transmembrane protein 139 (TMEM139) LDTP08479 0.00  LDD0075 
Transmembrane protein 41B (TMEM41B) LDTP06944 6.40  LDD0075 
Transmembrane protein 41B (TMEM41B) LDTP06944 6.40  LDD0075 
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⏷ Show the Full List of 12 Transporter and channel
16 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-ribosylation factor-like protein 6-interacting protein 4 (ARL6IP4) LDTP07301 4.60  LDD0075 
ADP-ribosylation factor-like protein 6-interacting protein 4 (ARL6IP4) LDTP07301 4.60  LDD0075 
Heterogeneous nuclear ribonucleoprotein M (HNRNPM) LDTP04500 5.00  LDD0075 
Heterogeneous nuclear ribonucleoprotein M (HNRNPM) LDTP04500 5.00  LDD0075 
Perilipin-3 (PLIN3) LDTP01021 6.70  LDD0075 
Perilipin-3 (PLIN3) LDTP01021 6.70  LDD0075 
Reticulon-3 (RTN3) LDTP01522 7.10  LDD0075 
Reticulon-3 (RTN3) LDTP01522 7.10  LDD0075 
Stress-induced-phosphoprotein 1 (STIP1) LDTP03619 12.50  LDD0075 
Stress-induced-phosphoprotein 1 (STIP1) LDTP03619 12.50  LDD0075 
Transgelin-3 (TAGLN3) LDTP18533 6.00  LDD0075 
Transgelin-3 (TAGLN3) LDTP18533 6.00  LDD0075 
Tumor protein D52 (TPD52) LDTP04703 6.30  LDD0075 
Tumor protein D52 (TPD52) LDTP04703 6.30  LDD0075 
Tumor protein D54 (TPD52L2) LDTP00759 7.90; 6.30  LDD0075 
Tumor protein D54 (TPD52L2) LDTP00759 7.90; 6.30  LDD0075 
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⏷ Show the Full List of 16 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0017  DFG-out-2 10 uM Human skin squamous cell carcinoma cell lysate (A431) [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
DFG-out-2
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Skin
Disease Model
Skin squamous cell carcinoma [ICD-11:2C31]
Model Name
Human skin squamous cell carcinoma cell lysate (A431)
Interaction Atlas ID
 LDD0075 
Download The Altas

References

1 Affinity-based probes based on type II kinase inhibitors. J Am Chem Soc. 2012 Nov 21;134(46):19017-25. doi: 10.1021/ja306035v. Epub 2012 Nov 6.