Details of the Probe

General Information of Probe

Probe ID
LDPC0299
Probe Name
C039
Synonyms
Z4282860204
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.5
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H24FN5O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)N2CCC3(CC2)CC3C4=NN=C(O4)C5=CC(=CC=C5)F
InChI
InChI=1S/C23H24FN5O2/c1-2-3-8-23(27-28-23)9-7-19(30)29-12-10-22(11-13-29)15-18(22)21-26-25-20(31-21)16-5-4-6-17(24)14-16/h1,4-6,14,18H,3,7-13,15H2
InChIKey
UQRHLYGWRJFUMJ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

46 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 5.90  LDD1739 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.96  LDD1739 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.01  LDD1739 
Beta-galactosidase (GLB1) LDTP02837 5.82  LDD1739 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 6.59  LDD1739 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 6.11  LDD1739 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 6.96  LDD1739 
Catechol O-methyltransferase (COMT) LDTP03145 5.31  LDD1739 
Ceramide synthase 1 (CERS1) LDTP03394 9.19  LDD1739 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 5.31  LDD1739 
Cytochrome b5 type B (CYB5B) LDTP00697 5.21  LDD1739 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 6.45  LDD1739 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 26.17  LDD1739 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.57  LDD1739 
Diacylglycerol kinase epsilon (DGKE) LDTP04506 8.75  LDD1739 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.94  LDD1739 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 7.41  LDD1739 
Epoxide hydrolase 1 (EPHX1) LDTP02175 5.86  LDD1739 
Farnesyl pyrophosphate synthase (FDPS) LDTP02721 5.74  LDD1739 
Heme oxygenase 1 (HMOX1) LDTP02359 14.42  LDD1739 
Heme oxygenase 2 (HMOX2) LDTP03540 13.18  LDD1739 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.03  LDD1739 
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase (AASDHPPT) LDTP12524 5.35  LDD1739 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.96  LDD1739 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 9.99  LDD1739 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 4.96  LDD1739 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 10.85  LDD1739 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 6.19  LDD1739 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 4.92  LDD1739 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 5.03  LDD1739 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.85  LDD1739 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 6.06  LDD1739 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.82  LDD1739 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 8.82  LDD1739 
Phospholipase A2 group XV (PLA2G15) LDTP09088 4.92  LDD1739 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.21  LDD1739 
Prostaglandin reductase 3 (PTGR3) LDTP15422 5.66  LDD1739 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.74  LDD1739 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 7.01  LDD1739 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 4.99  LDD1739 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 11.79  LDD1739 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.92  LDD1739 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 5.39  LDD1739 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 8.94  LDD1739 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 7.41  LDD1739 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 7.57  LDD1739 
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⏷ Show the Full List of 46 Enzyme
28 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 10.93  LDD1739 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 32.22  LDD1739 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 9.92  LDD1739 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.88  LDD1739 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.78  LDD1739 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 5.74  LDD1739 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 12.47  LDD1739 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 12.38  LDD1739 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 6.36  LDD1739 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 9.71  LDD1739 
Mpv17-like protein 2 (MPV17L2) LDTP14952 4.99  LDD1739 
Nucleoporin NDC1 (NDC1) LDTP11213 4.92  LDD1739 
Protein GPR107 (GPR107) LDTP07236 7.16  LDD1739 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.77  LDD1739 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 8.94  LDD1739 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 7.62  LDD1739 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.39  LDD1739 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 4.96  LDD1739 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.13  LDD1739 
Translocator protein (TSPO) LDTP03546 12.04  LDD1739 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 12.04  LDD1739 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.54  LDD1739 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.58  LDD1739 
Transmembrane protein 160 (TMEM160) LDTP20002 6.50  LDD1739 
Transmembrane protein 199 (TMEM199) LDTP08881 7.21  LDD1739 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 12.73  LDD1739 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.94  LDD1739 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.63  LDD1739 
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⏷ Show the Full List of 28 Transporter and channel
24 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 15.03  LDD1739 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.43  LDD1739 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 4.96  LDD1739 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 18.64  LDD1739 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 8.94  LDD1739 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.21  LDD1739 
Heterogeneous nuclear ribonucleoprotein D-like (HNRNPDL) LDTP00500 5.10  LDD1739 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 5.39  LDD1739 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 5.78  LDD1739 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 15.89  LDD1739 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 13.64  LDD1739 
Neuferricin (CYB5D2) LDTP15623 7.73  LDD1739 
Nucleobindin-1 (NUCB1) LDTP05375 8.63  LDD1739 
Nucleobindin-2 (NUCB2) LDTP05160 11.55  LDD1739 
Optic atrophy 3 protein (OPA3) LDTP16006 4.99  LDD1739 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 5.78  LDD1739 
Protein FAM162A (FAM162A) LDTP10056 5.86  LDD1739 
Protein transport protein Sec23A (SEC23A) LDTP06390 5.03  LDD1739 
Protein transport protein Sec23B (SEC23B) LDTP06391 8.28  LDD1739 
Reticulocalbin-2 (RCN2) LDTP06097 5.39  LDD1739 
Small integral membrane protein 12 (SMIM12) LDTP19859 11.79  LDD1739 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.21  LDD1739 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 6.73  LDD1739 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 4.96  LDD1739 
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⏷ Show the Full List of 24 Other

Full Information of The Labelling Profiles of This Probe

Quantification: AfBPP Probe vs Negative Probe
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
Probe:50uM; negative probe:50uM
Quantitative Method
TMT
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Note
Negative probe:C#CCCC1(CCC(NC)=O)N=N1
Interaction Atlas ID
 LDD1739 
Download The Altas

References

1 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587