Details of the Probe

General Information of Probe

Probe ID
LDPC0478
Probe Name
C245
Synonyms
Z4282860718
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 331.4
Lipid-water partition coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H21N3O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-(2,3-dihydro-1H-phenalen-1-yl)propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NC2CCC3=CC=CC4=C3C2=CC=C4
InChI
InChI=1S/C21H21N3O/c1-2-3-13-21(23-24-21)14-12-19(25)22-18-11-10-16-7-4-6-15-8-5-9-17(18)20(15)16/h1,4-9,18H,3,10-14H2,(H,22,25)
InChIKey
LERJIORYNFAGAI-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 21.41  LDD1918 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 5.43  LDD1918 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 8.51  LDD1918 
Cytochrome b5 type B (CYB5B) LDTP00697 9.32  LDD1918 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.31  LDD1918 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 5.94  LDD1918 
Heme oxygenase 1 (HMOX1) LDTP02359 6.19  LDD1918 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 9.85  LDD1918 
Lysophosphatidylcholine acyltransferase 1 (LPCAT1) LDTP09188 7.46  LDD1918 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 5.82  LDD1918 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 5.10  LDD1918 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 8.88  LDD1918 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 6.59  LDD1918 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.46  LDD1918 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.63  LDD1918 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 11.79  LDD1918 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 4.92  LDD1918 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 17.63  LDD1918 
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⏷ Show the Full List of 18 Enzyme
25 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 12.38  LDD1918 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 9.06  LDD1918 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 19.97  LDD1918 
Golgin subfamily A member 5 (GOLGA5) LDTP09333 4.99  LDD1918 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 8.82  LDD1918 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 23.92  LDD1918 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 18.25  LDD1918 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 17.15  LDD1918 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 4.92  LDD1918 
Prosaposin (PSAP) LDTP02215 5.03  LDD1918 
Protein GPR107 (GPR107) LDTP07236 14.83  LDD1918 
Protein tweety homolog 3 (TTYH3) LDTP11615 5.21  LDD1918 
Protein wntless homolog (WLS) LDTP07156 8.00  LDD1918 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 10.56  LDD1918 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 13.27  LDD1918 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 11.63  LDD1918 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.45  LDD1918 
Syntaxin-4 (STX4) LDTP05667 5.39  LDD1918 
Tetraspanin-3 (TSPAN3) LDTP16813 8.11  LDD1918 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 11.00  LDD1918 
Transmembrane protein 126A (TMEM126A) LDTP15948 15.56  LDD1918 
Transmembrane protein 160 (TMEM160) LDTP20002 6.45  LDD1918 
Transmembrane protein 199 (TMEM199) LDTP08881 23.59  LDD1918 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 17.51  LDD1918 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 16.80  LDD1918 
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⏷ Show the Full List of 25 Transporter and channel
21 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
26S proteasome non-ATPase regulatory subunit 11 (PSMD11) LDTP00223 16.00  LDD1918 
Angiomotin (AMOT) LDTP06868 10.20  LDD1918 
Apolipoprotein L2 (APOL2) LDTP11076 12.73  LDD1918 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.02  LDD1918 
Clustered mitochondria protein homolog (CLUH) LDTP14486 17.75  LDD1918 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 14.83  LDD1918 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 16.22  LDD1918 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 9.71  LDD1918 
HCLS1-associated protein X-1 (HAX1) LDTP00199 10.48  LDD1918 
Large proline-rich protein BAG6 (BAG6) LDTP04094 4.92  LDD1918 
MAGUK p55 subfamily member 2 (MPP2) LDTP06068 6.82  LDD1918 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.94  LDD1918 
Oxysterol-binding protein-related protein 1 (OSBPL1A) LDTP11420 6.11  LDD1918 
p53 and DNA damage-regulated protein 1 (PDRG1) LDTP16099 10.70  LDD1918 
Protein CEBPZOS (CEBPZOS) LDTP18883 7.16  LDD1918 
Protein FAM114A2 (FAM114A2) LDTP16080 5.43  LDD1918 
Protein FAM162A (FAM162A) LDTP10056 5.78  LDD1918 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.21  LDD1918 
Signal transducing adapter molecule 1 (STAM) LDTP09870 5.54  LDD1918 
Syntaxin-10 (STX10) LDTP00986 7.62  LDD1918 
UPF0488 protein C8orf33 (C8orf33) LDTP12025 23.75  LDD1918 
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⏷ Show the Full List of 21 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
 LDD1918 
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