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

48 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 
26S proteasome non-ATPase regulatory subunit 3 (PSMD3) LDTP00714 2.50  LDD0327 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 5.67  LDD0327 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 5.67  LDD0327 
Actin, cytoplasmic 2 (ACTG1) LDTP05059 2.76  LDD0327 
Actin, cytoplasmic 2 (ACTG1) LDTP05059 2.76  LDD0327 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 4.10  LDD0327 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 4.10  LDD0327 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 2.26  LDD0327 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 2.26  LDD0327 
ATP-dependent RNA helicase DDX3X (DDX3X) LDTP00314 2.22  LDD0327 
ATP-dependent RNA helicase DDX3X (DDX3X) LDTP00314 2.22  LDD0327 
ATP-dependent RNA helicase DHX15 (DHX15) LDTP00684 2.54  LDD0327 
ATP-dependent RNA helicase DHX15 (DHX15) LDTP00684 2.54  LDD0327 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 2.57  LDD0327 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 2.57  LDD0327 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 2.71  LDD0327 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 2.71  LDD0327 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 2.03  LDD0327 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 2.03  LDD0327 
DNA replication licensing factor MCM3 (MCM3) LDTP03316 6.35  LDD0327 
DNA replication licensing factor MCM3 (MCM3) LDTP03316 6.35  LDD0327 
DNA-dependent protein kinase catalytic subunit (PRKDC) LDTP05136 7.47  LDD0327 
DNA-dependent protein kinase catalytic subunit (PRKDC) LDTP05136 7.47  LDD0327 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 2.47  LDD0327 
Elongation factor 1-alpha 1 (EEF1A1) LDTP05071 2.47  LDD0327 
Elongation factor 2 (EEF2) LDTP02672 5.93  LDD0327 
Elongation factor 2 (EEF2) LDTP02672 5.93  LDD0327 
Endoplasmic reticulum chaperone BiP (HSPA5) LDTP02534 3.76  LDD0327 
Endoplasmic reticulum chaperone BiP (HSPA5) LDTP02534 3.76  LDD0327 
Heat shock cognate 71 kDa protein (HSPA8) LDTP02541 2.63  LDD0327 
Heat shock cognate 71 kDa protein (HSPA8) LDTP02541 2.63  LDD0327 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 6.20  LDD0327 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 6.20  LDD0327 
Isochorismatase domain-containing protein 1 (ISOC1) LDTP19851 6.09  LDD0327 
Isochorismatase domain-containing protein 1 (ISOC1) LDTP19851 6.09  LDD0327 
Isoleucine--tRNA ligase, cytoplasmic (IARS1) LDTP03947 2.52  LDD0327 
Isoleucine--tRNA ligase, cytoplasmic (IARS1) LDTP03947 2.52  LDD0327 
Methionine--tRNA ligase, cytoplasmic (MARS1) LDTP04730 3.31  LDD0327 
Methionine--tRNA ligase, cytoplasmic (MARS1) LDTP04730 3.31  LDD0327 
Multifunctional protein CAD (CAD) LDTP03401 7.21  LDD0327 
Multifunctional protein CAD (CAD) LDTP03401 7.21  LDD0327 
Parkinson disease protein 7 (PARK7) LDTP10878 14.78  LDD0327 
Parkinson disease protein 7 (PARK7) LDTP10878 14.78  LDD0327 
Poly [ADP-ribose] polymerase 1 (PARP1) LDTP02375 3.65  LDD0327 
Poly [ADP-ribose] polymerase 1 (PARP1) LDTP02375 3.65  LDD0327 
Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1) LDTP02067 3.94  LDD0327 
Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1) LDTP02067 3.94  LDD0327 
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⏷ Show the Full List of 48 Enzyme
22 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 
ADP/ATP translocase 2 (SLC25A5) LDTP02087 4.09  LDD0327 
Amino acid transporter heavy chain SLC3A2 (SLC3A2) LDTP02256 5.23  LDD0327 
Amino acid transporter heavy chain SLC3A2 (SLC3A2) LDTP02256 5.23  LDD0327 
BOS complex subunit NCLN (NCLN) LDTP10036 3.06  LDD0327 
BOS complex subunit NCLN (NCLN) LDTP10036 3.06  LDD0327 
Desmoplakin (DSP) LDTP02815 3.13  LDD0327 
Desmoplakin (DSP) LDTP02815 3.13  LDD0327 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (RPN1) LDTP02057 5.79  LDD0327 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1 (RPN1) LDTP02057 5.79  LDD0327 
Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial (SLC25A13) LDTP13393 3.54  LDD0327 
Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial (SLC25A13) LDTP13393 3.54  LDD0327 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 4.65  LDD0327 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 4.65  LDD0327 
Importin subunit beta-1 (KPNB1) LDTP06242 5.11  LDD0327 
Importin subunit beta-1 (KPNB1) LDTP06242 5.11  LDD0327 
Neutral amino acid transporter B(0) (SLC1A5) LDTP06462 2.01  LDD0327 
Neutral amino acid transporter B(0) (SLC1A5) LDTP06462 2.01  LDD0327 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 4.77  LDD0327 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 4.77  LDD0327 
T-complex protein 1 subunit delta (CCT4) LDTP04391 5.43  LDD0327 
T-complex protein 1 subunit delta (CCT4) LDTP04391 5.43  LDD0327 
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⏷ Show the Full List of 22 Transporter and channel
38 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 
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 4.05  LDD0327 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 4.52  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 A (EIF3A) LDTP06055 2.39  LDD0327 
Eukaryotic translation initiation factor 3 subunit B (EIF3B) LDTP04718 2.38  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 
Eukaryotic translation initiation factor 4 gamma 1 (EIF4G1) LDTP05421 3.73  LDD0327 
Far upstream element-binding protein 2 (KHSRP) LDTP09938 6.72  LDD0327 
Far upstream element-binding protein 2 (KHSRP) LDTP09938 6.72  LDD0327 
Heat shock 70 kDa protein 1B (HSPA1B) LDTP02435 3.40  LDD0327 
Heat shock 70 kDa protein 1B (HSPA1B) LDTP02435 3.40  LDD0327 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 3.26  LDD0327 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 3.26  LDD0327 
Heterogeneous nuclear ribonucleoprotein K (HNRNPK) LDTP04952 2.96  LDD0327 
Heterogeneous nuclear ribonucleoprotein K (HNRNPK) LDTP04952 2.96  LDD0327 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 3.01  LDD0327 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 3.01  LDD0327 
Poly(rC)-binding protein 2 (PCBP2) LDTP06367 3.49  LDD0327 
Poly(rC)-binding protein 2 (PCBP2) LDTP06367 3.49  LDD0327 
Protein RCC2 (RCC2) LDTP13020 3.45  LDD0327 
Protein RCC2 (RCC2) LDTP13020 3.45  LDD0327 
Small ribosomal subunit protein eS1 (RPS3A) LDTP04913 2.68  LDD0327 
Small ribosomal subunit protein eS1 (RPS3A) LDTP04913 2.68  LDD0327 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 7.77  LDD0327 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 7.77  LDD0327 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 2.04  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 alpha (TCP1) LDTP02934 3.74  LDD0327 
T-complex protein 1 subunit eta (CCT7) LDTP10990 5.66  LDD0327 
T-complex protein 1 subunit eta (CCT7) LDTP10990 5.66  LDD0327 
T-complex protein 1 subunit gamma (CCT3) LDTP04249 5.16  LDD0327 
T-complex protein 1 subunit gamma (CCT3) LDTP04249 5.16  LDD0327 
Ubiquitin-ribosomal protein eL40 fusion protein (UBA52) LDTP05034 3.82  LDD0327 
Ubiquitin-ribosomal protein eL40 fusion protein (UBA52) LDTP05034 3.82  LDD0327 
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⏷ Show the Full List of 38 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