Details of the Probe

General Information of Probe

Probe ID
LDPC0197
Probe Name
Dasatinib-CA-3PAP
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 1134.159
Lipid-water partition coefficient (xlogp) 6.38884
Rotatable Bond Count (rotbonds) 33
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 20
Chemical Identifiers
Formula
C49H70Cl2N14O11S
Canonical SMILES
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCCC3(C)N=N3)CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)CC2)n1
InChI
InChI=1S/C49H70Cl2N14O11S/c1-35-12-10-13-37(51)42(35)60-43(67)38-33-56-44(77-38)59-39-32-40(58-36(2)57-39)64-24-22-63(23-25-64)34-41(66)65(20-11-14-49(3)61-62-49)21-16-52-45(68)75-30-18-54-46(69)73-27-8-9-28-74-47(70)55-19-31-76-48(71)53-17-29-72-26-7-5-4-6-15-50/h8-10,12-13,32-33H,4-7,11,14-31,34H2,1-3H3,(H,52,68)(H,53,71)(H,54,69)(H,55,70)(H,60,67)(H,56,57,58,59)/b9-8+
InChIKey
YPTZMFOOXPUYTK-CMDGGOBGSA-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
Adenosine kinase (ADK) LDTP04689 4.39  LDD0365 
ATPase family AAA domain-containing protein 3A (ATAD3A) LDTP12681 4.33  LDD0365 
Breakpoint cluster region protein (BCR) LDTP02560 N.A.  LDD0365 
Ephrin type-B receptor 4 (EPHB4) LDTP04631 N.A.  LDD0365 
Ferrochelatase, mitochondrial (FECH) LDTP03198 4.91  LDD0365 
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (PKMYT1) LDTP10930 N.A.  LDD0365 
Mitogen-activated protein kinase 14 (MAPK14) LDTP06547 N.A.  LDD0365 
Proto-oncogene tyrosine-protein kinase Src (SRC) LDTP02638 N.A.  LDD0365 
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2) LDTP00751 N.A.  LDD0365 
Trypsin-3 (PRSS3) LDTP03703 4.50  LDD0365 
Tyrosine-protein kinase ABL1 (ABL1) LDTP01784 N.A.  LDD0365 
Tyrosine-protein kinase ABL2 (ABL2) LDTP03991 N.A.  LDD0365 
Tyrosine-protein kinase BTK (BTK) LDTP05478 N.A.  LDD0365 
Tyrosine-protein kinase Fyn (FYN) LDTP02139 N.A.  LDD0365 
Tyrosine-protein kinase Lyn (LYN) LDTP02232 N.A.  LDD0365 
Tyrosine-protein kinase Yes (YES1) LDTP02231 N.A.  LDD0365 
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⏷ Show the Full List of 16 Enzyme
4 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Eukaryotic translation initiation factor 3 subunit A (EIF3A) LDTP06055 4.50  LDD0365 
Large ribosomal subunit protein eL21 (RPL21) LDTP04107 6.50  LDD0365 
Large ribosomal subunit protein eL6 (RPL6) LDTP05378 5.00  LDD0365 
U1 small nuclear ribonucleoprotein 70 kDa (SNRNP70) LDTP02292 4.00  LDD0365 
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Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0097  Dasatinib 20 uM Human chronic myeloid leukemia cell lysate (K562) [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
LFQ
Competitor Name
Dasatinib
 Competitor Info 
Competitor Concentration
20 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model
Chronic myeloid leukemia [ICD-11:2A20]
Model Name
Human chronic myeloid leukemia cell lysate (K562)
Interaction Atlas ID
 LDD0365 
Download The Altas

References

1 Streamlined Target Deconvolution Approach Utilizing a Single Photoreactive Chloroalkane Capture Tag. ACS Chem Biol. 2021 Feb 19;16(2):404-413. doi: 10.1021/acschembio.0c00987. Epub 2021 Feb 5.