Details of the Probe

General Information of Probe

Probe ID
LDPC0196
Probe Name
Dasatinib-CA-8PAP
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 1183.191
Lipid-water partition coefficient (xlogp) 7.87706
Rotatable Bond Count (rotbonds) 32
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 19
Chemical Identifiers
Formula
C52H69Cl2N15O11S
Canonical SMILES
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)Cc3ccc(C)c(N=[N+]=[N-])c3)CC2)n1
InChI
InChI=1S/C52H69Cl2N15O11S/c1-36-13-14-39(31-41(36)65-66-55)34-69(20-16-56-49(72)79-29-18-58-50(73)77-26-8-9-27-78-51(74)59-19-30-80-52(75)57-17-28-76-25-7-5-4-6-15-53)45(70)35-67-21-23-68(24-22-67)44-32-43(61-38(3)62-44)63-48-60-33-42(81-48)47(71)64-46-37(2)11-10-12-40(46)54/h8-14,31-33H,4-7,15-30,34-35H2,1-3H3,(H,56,72)(H,57,75)(H,58,73)(H,59,74)(H,64,71)(H,60,61,62,63)/b9-8+
InChIKey
IKSYERYOIBJQSP-CMDGGOBGSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

20 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine kinase (ADK) LDTP04689 4.78  LDD0364 
AFG3-like protein 2 (AFG3L2) LDTP14075 6.00  LDD0364 
Biliverdin reductase A (BLVRA) LDTP04552 4.00  LDD0364 
Breakpoint cluster region protein (BCR) LDTP02560 N.A.  LDD0364 
Cyclin-G-associated kinase (GAK) LDTP00497 N.A.  LDD0364 
Ephrin type-B receptor 4 (EPHB4) LDTP04631 N.A.  LDD0364 
Epithelial discoidin domain-containing receptor 1 (DDR1) LDTP05554 N.A.  LDD0364 
Ferrochelatase, mitochondrial (FECH) LDTP03198 4.00  LDD0364 
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (PKMYT1) LDTP10930 4.19  LDD0364 
Mitogen-activated protein kinase 14 (MAPK14) LDTP06547 5.02; 0.00  LDD0364 
Proto-oncogene tyrosine-protein kinase Src (SRC) LDTP02638 N.A.  LDD0364 
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2) LDTP00751 N.A.  LDD0364 
Ribosyldihydronicotinamide dehydrogenase [quinone] (NQO2) LDTP02824 8.00  LDD0364 
Torsin-1B (TOR1B) LDTP00400 4.00  LDD0364 
Tyrosine-protein kinase ABL1 (ABL1) LDTP01784 N.A.  LDD0364 
Tyrosine-protein kinase BTK (BTK) LDTP05478 N.A.  LDD0364 
Tyrosine-protein kinase CSK (CSK) LDTP03944 8.83  LDD0364 
Tyrosine-protein kinase Fyn (FYN) LDTP02139 N.A.  LDD0364 
Tyrosine-protein kinase Tec (TEC) LDTP03989 23.00  LDD0364 
U5 small nuclear ribonucleoprotein 200 kDa helicase (SNRNP200) LDTP01283 4.00  LDD0364 
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⏷ Show the Full List of 20 Enzyme
2 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
B-cell receptor-associated protein 29 (BCAP29) LDTP16201 8.00  LDD0364 
Large neutral amino acids transporter small subunit 3 (SLC43A1) LDTP01204 8.50  LDD0364 
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1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Signal transducer and activator of transcription 5B (STAT5B) LDTP04454 N.A.  LDD0364 
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11 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.00  LDD0364 
DnaJ homolog subfamily A member 3, mitochondrial (DNAJA3) LDTP10282 4.50  LDD0364 
Keratin, type I cytoskeletal 17 (KRT17) LDTP05424 N.A.  LDD0364 
Keratin, type I cytoskeletal 27 (KRT27) LDTP08043 N.A.  LDD0364 
Keratin, type II cytoskeletal 1b (KRT77) LDTP08138 N.A.  LDD0364 
Keratin, type II cytoskeletal 6A (KRT6A) LDTP01931 5.02  LDD0364 
Keratin, type II cytoskeletal 6B (KRT6B) LDTP02030 4.91  LDD0364 
Large ribosomal subunit protein uL3 (RPL3) LDTP03865 5.00  LDD0364 
Oxysterol-binding protein-related protein 2 (OSBPL2) LDTP11774 4.56  LDD0364 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 16.50  LDD0364 
Small ribosomal subunit protein eS6 (RPS6) LDTP05002 4.33  LDD0364 
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⏷ Show the Full List of 11 Other

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
 LDD0364 
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.