Details of the Probe

General Information of Probe

Probe ID
LDPC0130
Probe Name
1oxF11yne
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 341.4
Lipid-water partition coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H19N3O4
IUPAC Name
prop-2-ynyl (3aR,6aS)-2-(3-phenyloxaziridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Canonical SMILES
C#CCOC(=O)N1CC2CN(CC2C1)C(=O)N3C(O3)C4=CC=CC=C4
InChI
InChI=1S/C18H19N3O4/c1-2-8-24-18(23)20-11-14-9-19(10-15(14)12-20)17(22)21-16(25-21)13-6-4-3-5-7-13/h1,3-7,14-16H,8-12H2/t14-,15+,16?,21?
InChIKey
HGRIMRFBQDCUTJ-MEWABEDBSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

23 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
26S proteasome non-ATPase regulatory subunit 2 (PSMD2) LDTP05782 N.A.  LDD0193 
26S proteasome non-ATPase regulatory subunit 3 (PSMD3) LDTP00714 N.A.  LDD0193 
26S proteasome non-ATPase regulatory subunit 7 (PSMD7) LDTP04441 N.A.  LDD0193 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 N.A.  LDD0193 
ADP-ribosylation factor 4 (ARF4) LDTP02942 N.A.  LDD0193 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 N.A.  LDD0193 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 N.A.  LDD0193 
ATP-dependent RNA helicase A (DHX9) LDTP05550 N.A.  LDD0193 
ATP-dependent RNA helicase DHX15 (DHX15) LDTP00684 N.A.  LDD0193 
Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial (DLST) LDTP03829 N.A.  LDD0193 
DNA replication licensing factor MCM7 (MCM7) LDTP03682 N.A.  LDD0193 
Elongation factor 1-alpha 2 (EEF1A2) LDTP05460 N.A.  LDD0193 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 N.A.  LDD0193 
Heat shock protein HSP 90-alpha (HSP90AA1) LDTP02225 N.A.  LDD0193 
Multifunctional protein CAD (CAD) LDTP03401 N.A.  LDD0193 
Peroxiredoxin-1 (PRDX1) LDTP05503 N.A.  LDD0193 
Pyruvate kinase PKM (PKM) LDTP02733 N.A.  LDD0193 
Ras-related protein Rab-3D (RAB3D) LDTP01659 N.A.  LDD0193 
Ribose-phosphate pyrophosphokinase 2 (PRPS2) LDTP02592 N.A.  LDD0193 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 N.A.  LDD0193 
sn-1-specific diacylglycerol lipase ABHD11 (ABHD11) LDTP09225 N.A.  LDD0193 
Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1) LDTP02067 N.A.  LDD0193 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 N.A.  LDD0193 
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⏷ Show the Full List of 23 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 N.A.  LDD0193 
Calcium load-activated calcium channel (TMCO1) LDTP13599 N.A.  LDD0193 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit (DDOST) LDTP03870 N.A.  LDD0193 
Exportin-1 (XPO1) LDTP00501 N.A.  LDD0193 
Exportin-2 (CSE1L) LDTP04662 N.A.  LDD0193 
Filamin-A (FLNA) LDTP03107 N.A.  LDD0193 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 N.A.  LDD0193 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 N.A.  LDD0193 
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⏷ Show the Full List of 8 Transporter and channel
26 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Actin-related protein 2 (ACTR2) LDTP04903 N.A.  LDD0193 
AP-1 complex subunit sigma-2 (AP1S2) LDTP04739 N.A.  LDD0193 
Coatomer subunit beta (COPB1) LDTP04570 N.A.  LDD0193 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 N.A.  LDD0193 
Elongation factor 1-gamma (EEF1G) LDTP03367 N.A.  LDD0193 
Endoplasmin (HSP90B1) LDTP02734 N.A.  LDD0193 
Eukaryotic peptide chain release factor subunit 1 (ETF1) LDTP04993 N.A.  LDD0193 
Glutamate-rich WD repeat-containing protein 1 (GRWD1) LDTP11058 N.A.  LDD0193 
Guanine nucleotide-binding protein G(i) subunit alpha-3 (GNAI3) LDTP02306 N.A.  LDD0193 
Heat shock 70 kDa protein 1A (HSPA1A) LDTP02434 N.A.  LDD0193 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 N.A.  LDD0193 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 N.A.  LDD0193 
Heterogeneous nuclear ribonucleoproteins A2/B1 (HNRNPA2B1) LDTP03182 N.A.  LDD0193 
Keratin, type I cytoskeletal 19 (KRT19) LDTP02304 N.A.  LDD0193 
Leucine-rich PPR motif-containing protein, mitochondrial (LRPPRC) LDTP03997 N.A.  LDD0193 
Polyubiquitin-B (UBB) LDTP02412 N.A.  LDD0193 
Prelamin-A/C (LMNA) LDTP01932 N.A.  LDD0193 
Rab GDP dissociation inhibitor alpha (GDI1) LDTP03574 N.A.  LDD0193 
Splicing factor 3B subunit 3 (SF3B3) LDTP06376 N.A.  LDD0193 
Splicing factor 3B subunit 6 (SF3B6) LDTP13970 N.A.  LDD0193 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 N.A.  LDD0193 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 N.A.  LDD0193 
T-complex protein 1 subunit beta (CCT2) LDTP05113 N.A.  LDD0193 
UV excision repair protein RAD23 homolog B (RAD23B) LDTP04627 N.A.  LDD0193 
Vacuolar protein sorting-associated protein 45 (VPS45) LDTP12541 N.A.  LDD0193 
Vesicle-trafficking protein SEC22b (SEC22B) LDTP01206 N.A.  LDD0193 
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⏷ Show the Full List of 26 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
500 uM
Quantitative Method
ReDiMe
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Breast
Disease Model
Invasive breast carcinoma [ICD-11:2C60]
Model Name
Human invasive breast carcinoma cell lysate (MCF-7)
Interaction Atlas ID
 LDD0193 
Download The Altas

References

1 An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4. J Am Chem Soc. 2022 Dec 21;144(50):22890-22901. doi: 10.1021/jacs.2c04039. Epub 2022 Dec 9.