Details of the Probe

General Information of Probe

Probe ID
LDPC0188
Probe Name
11RK72
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 641.784
Lipid-water partition coefficient (xlogp) 0.40298
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C27H35N11O4S2
Canonical SMILES
[H]C12CSC(CCCCC(=O)NCc3cn(CC(=O)N4CCc5nc(NC(=O)C6CCN(C#N)C6)sc5C4)nn3)C1([H])NC(=O)N2
InChI
InChI=1S/C27H35N11O4S2/c28-15-36-7-5-16(10-36)25(41)33-27-31-18-6-8-37(12-21(18)44-27)23(40)13-38-11-17(34-35-38)9-29-22(39)4-2-1-3-20-24-19(14-43-20)30-26(42)32-24/h11,16,19-20,24H,1-10,12-14H2,(H,29,39)(H2,30,32,42)(H,31,33,41)/t16-,19+,20+,24+/m0/s1
InChIKey
XJSQIHOHLGVPGJ-FROCWPDGSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

24 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
26S proteasome non-ATPase regulatory subunit 3 (PSMD3) LDTP00714 2.50  LDD0327 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 5.67  LDD0327 
Actin, cytoplasmic 2 (ACTG1) LDTP05059 2.76  LDD0327 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 4.10  LDD0327 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 2.26  LDD0327 
ATP-dependent RNA helicase DDX3X (DDX3X) LDTP00314 2.22  LDD0327 
ATP-dependent RNA helicase DHX15 (DHX15) LDTP00684 2.54  LDD0327 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 2.57  LDD0327 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 2.71  LDD0327 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 2.03  LDD0327 
DNA replication licensing factor MCM3 (MCM3) LDTP03316 6.35  LDD0327 
DNA-dependent protein kinase catalytic subunit (PRKDC) LDTP05136 7.47  LDD0327 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 2.47  LDD0327 
Elongation factor 2 (EEF2) LDTP02672 5.93  LDD0327 
Endoplasmic reticulum chaperone BiP (HSPA5) LDTP02534 3.76  LDD0327 
Heat shock cognate 71 kDa protein (HSPA8) LDTP02541 2.63  LDD0327 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 6.20  LDD0327 
Isochorismatase domain-containing protein 1 (ISOC1) LDTP19851 6.09  LDD0327 
Isoleucine--tRNA ligase, cytoplasmic (IARS1) LDTP03947 2.52  LDD0327 
Methionine--tRNA ligase, cytoplasmic (MARS1) LDTP04730 3.31  LDD0327 
Multifunctional protein CAD (CAD) LDTP03401 7.21  LDD0327 
Parkinson disease protein 7 (PARK7) LDTP10878 14.78  LDD0327 
Poly [ADP-ribose] polymerase 1 (PARP1) LDTP02375 3.65  LDD0327 
Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1) LDTP02067 3.94  LDD0327 
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⏷ Show the Full List of 24 Enzyme
11 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP/ATP translocase 2 (SLC25A5) LDTP02087 4.09  LDD0327 
Amino acid transporter heavy chain SLC3A2 (SLC3A2) LDTP02256 5.23  LDD0327 
BOS complex subunit NCLN (NCLN) LDTP10036 3.06  LDD0327 
Desmoplakin (DSP) LDTP02815 3.13  LDD0327 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (RPN1) LDTP02057 5.79  LDD0327 
Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial (SLC25A13) LDTP13393 3.54  LDD0327 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 4.65  LDD0327 
Importin subunit beta-1 (KPNB1) LDTP06242 5.11  LDD0327 
Neutral amino acid transporter B(0) (SLC1A5) LDTP06462 2.01  LDD0327 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 4.77  LDD0327 
T-complex protein 1 subunit delta (CCT4) LDTP04391 5.43  LDD0327 
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⏷ Show the Full List of 11 Transporter and channel
19 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 4.05  LDD0327 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 4.52  LDD0327 
Eukaryotic translation initiation factor 3 subunit A (EIF3A) LDTP06055 2.39  LDD0327 
Eukaryotic translation initiation factor 3 subunit B (EIF3B) LDTP04718 2.38  LDD0327 
Eukaryotic translation initiation factor 4 gamma 1 (EIF4G1) LDTP05421 3.73  LDD0327 
Far upstream element-binding protein 2 (KHSRP) LDTP09938 6.72  LDD0327 
Heat shock 70 kDa protein 1B (HSPA1B) LDTP02435 3.40  LDD0327 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 3.26  LDD0327 
Heterogeneous nuclear ribonucleoprotein K (HNRNPK) LDTP04952 2.96  LDD0327 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 3.01  LDD0327 
Poly(rC)-binding protein 2 (PCBP2) LDTP06367 3.49  LDD0327 
Protein RCC2 (RCC2) LDTP13020 3.45  LDD0327 
Small ribosomal subunit protein eS1 (RPS3A) LDTP04913 2.68  LDD0327 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 7.77  LDD0327 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 2.04  LDD0327 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 3.74  LDD0327 
T-complex protein 1 subunit eta (CCT7) LDTP10990 5.66  LDD0327 
T-complex protein 1 subunit gamma (CCT3) LDTP04249 5.16  LDD0327 
Ubiquitin-ribosomal protein eL40 fusion protein (UBA52) LDTP05034 3.82  LDD0327 
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⏷ Show the Full List of 19 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
Quantitative Method
LFQ
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
 LDD0327 
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