Details of the Probe

General Information of Probe

Probe ID
LDPC0451
Probe Name
C217
Synonyms
Z4225960964
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 332.35
Lipid-water partition coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H18F2N4O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2(CC(C2)(F)F)C3=CN=CC=C3
InChI
InChI=1S/C17H18F2N4O/c1-2-3-6-17(22-23-17)7-9-21-14(24)15(11-16(18,19)12-15)13-5-4-8-20-10-13/h1,4-5,8,10H,3,6-7,9,11-12H2,(H,21,24)
InChIKey
FURHDKFKNPWATC-UHFFFAOYSA-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
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 5.78  LDD1891 
Beta-galactosidase (GLB1) LDTP02837 5.78  LDD1891 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 18.77  LDD1891 
Cytochrome b-c1 complex subunit 1, mitochondrial (UQCRC1) LDTP03610 5.31  LDD1891 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 4.99  LDD1891 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.31  LDD1891 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 6.87  LDD1891 
Mannose-1-phosphate guanyltransferase beta (GMPPB) LDTP14141 6.54  LDD1891 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 6.02  LDD1891 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 14.42  LDD1891 
Palmitoyltransferase ZDHHC13 (ZDHHC13) LDTP08455 5.66  LDD1891 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 11.31  LDD1891 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 9.92  LDD1891 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 16.00  LDD1891 
Phospholipase A2 group XV (PLA2G15) LDTP09088 18.13  LDD1891 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 11.47  LDD1891 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.28  LDD1891 
Protein O-GlcNAcase (OGA) LDTP00988 9.19  LDD1891 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 7.52  LDD1891 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.23  LDD1891 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 9.06  LDD1891 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 15.78  LDD1891 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 11.16  LDD1891 
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⏷ Show the Full List of 23 Enzyme
27 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 33.36  LDD1891 
BRI3-binding protein (BRI3BP) LDTP15648 9.19  LDD1891 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.50  LDD1891 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 10.63  LDD1891 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 5.31  LDD1891 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.98  LDD1891 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 16.22  LDD1891 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 17.88  LDD1891 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 67.65  LDD1891 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.96  LDD1891 
Protein GPR107 (GPR107) LDTP07236 10.34  LDD1891 
Putative divalent cation/proton antiporter TMEM165 (TMEM165) LDTP12207 4.92  LDD1891 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 12.73  LDD1891 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 10.56  LDD1891 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.90  LDD1891 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.15  LDD1891 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 5.90  LDD1891 
Sugar transporter SWEET1 (SLC50A1) LDTP11136 7.26  LDD1891 
Surfeit locus protein 4 (SURF4) LDTP00592 7.26  LDD1891 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 6.02  LDD1891 
Transmembrane protein 126A (TMEM126A) LDTP15948 7.11  LDD1891 
Transmembrane protein 199 (TMEM199) LDTP08881 7.67  LDD1891 
Transmembrane protein 87A (TMEM87A) LDTP15481 5.62  LDD1891 
V-type proton ATPase subunit B, brain isoform (ATP6V1B2) LDTP03104 9.45  LDD1891 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 6.82  LDD1891 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.84  LDD1891 
Zinc transporter 6 (SLC30A6) LDTP07490 19.03  LDD1891 
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⏷ Show the Full List of 27 Transporter and channel
14 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Centrosomal protein 43 (CEP43) LDTP01652 9.38  LDD1891 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 5.58  LDD1891 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 5.35  LDD1891 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 4.96  LDD1891 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 8.06  LDD1891 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 6.73  LDD1891 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.67  LDD1891 
Nucleobindin-2 (NUCB2) LDTP05160 4.92  LDD1891 
Protein CutA (CUTA) LDTP01075 9.65  LDD1891 
Protein FAM162A (FAM162A) LDTP10056 6.36  LDD1891 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.17  LDD1891 
Regulator of microtubule dynamics protein 3 (RMDN3) LDTP10849 26.91  LDD1891 
Reticulon-3 (RTN3) LDTP01522 5.17  LDD1891 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 12.30  LDD1891 
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⏷ Show the Full List of 14 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
 LDD1891 
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