Details of the Probe

General Information of Probe

Probe ID
LDPC0039
Probe Name
8RK64
Synonyms
8RK64; CHEMBL4802050; GLXC-25767; 8RK-64; BDBM50589875; PD158481; HY-148254; CS-0617269; (S)-N-(5-(2-Azidoacetyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)-1-cyanopyrrolidine-3-carboxamide
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 360.4
Lipid-water partition coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C14H16N8O2S
IUPAC Name
(3S)-N-[5-(2-azidoacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-cyanopyrrolidine-3-carboxamide
Canonical SMILES
C1CN(CC1C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)CN=[N+]=[N-])C#N
InChI
InChI=1S/C14H16N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h9H,1-7H2,(H,18,19,24)/t9-/m0/s1
InChIKey
KIWKRCCIHSGWQS-VIFPVBQESA-N

The Probe Interaction Atlas

Target(s) List of this Probe

19 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 N.A.  LDD0039 
Actin, cytoplasmic 2 (ACTG1) LDTP05059 N.A.  LDD0039 
Alpha-enolase (ENO1) LDTP02159 N.A.  LDD0039 
ATP-citrate synthase (ACLY) LDTP04561 N.A.  LDD0039 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 N.A.  LDD0039 
Creatine kinase B-type (CKB) LDTP02616 N.A.  LDD0039 
DNA-dependent protein kinase catalytic subunit (PRKDC) LDTP05136 N.A.  LDD0039 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 N.A.  LDD0039 
Elongation factor 2 (EEF2) LDTP02672 N.A.  LDD0039 
Fructose-bisphosphate aldolase A (ALDOA) LDTP02008 N.A.  LDD0039 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 N.A.  LDD0039 
L-lactate dehydrogenase A chain (LDHA) LDTP01766 N.A.  LDD0039 
L-lactate dehydrogenase B chain (LDHB) LDTP02179 N.A.  LDD0039 
Parkinson disease protein 7 (PARK7) LDTP10878 N.A.  LDD0039 
Peroxiredoxin-1 (PRDX1) LDTP05503 N.A.  LDD0039 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 N.A.  LDD0039 
Tubulin alpha-1B chain (TUBA1B) LDTP05074 N.A.  LDD0039 
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCHL1) LDTP02383 N.A.  LDD0039 
Ubiquitin-like modifier-activating enzyme 1 (UBA1) LDTP03166 N.A.  LDD0039 
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⏷ Show the Full List of 19 Enzyme
5 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
14-3-3 protein zeta/delta (YWHAZ) LDTP05043 N.A.  LDD0039 
ADP/ATP translocase 2 (SLC25A5) LDTP02087 N.A.  LDD0039 
Fatty acid-binding protein 5 (FABP5) LDTP05292 N.A.  LDD0039 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 N.A.  LDD0039 
T-complex protein 1 subunit delta (CCT4) LDTP04391 N.A.  LDD0039 
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1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, A alpha chain (HLA-A) LDTP02040 N.A.  LDD0039 
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6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cofilin-1 (CFL1) LDTP03244 N.A.  LDD0039 
Elongation factor 1-gamma (EEF1G) LDTP03367 N.A.  LDD0039 
Hornerin (HRNR) LDTP08425 N.A.  LDD0039 
Keratin, type I cytoskeletal 16 (KRT16) LDTP02308 N.A.  LDD0039 
Keratin, type II cytoskeletal 6A (KRT6A) LDTP01931 N.A.  LDD0039 
Keratin, type II cytoskeletal 6C (KRT6C) LDTP04205 N.A.  LDD0039 
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⏷ Show the Full List of 6 Other

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs DMSO
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
5 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Interaction Atlas ID
 LDD0039 
Download The Altas

References

1 Small-Molecule Activity-Based Probe for Monitoring Ubiquitin C-Terminal Hydrolase L1 (UCHL1) Activity in Live Cells and Zebrafish Embryos. J Am Chem Soc. 2020 Sep 30;142(39):16825-16841. doi: 10.1021/jacs.0c07726. Epub 2020 Sep 18.
Mass spectrometry data entry: PXD021557 , PXD015828