Details of the Probe

General Information of Probe

Probe ID
LDPC0440
Probe Name
C205
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 353.348
Lipid-water partition coefficient (xlogp) 2.9336
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H18F3N5O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c(C(F)(F)F)nc3n2C([H])([H])C([H])([H])C([H])([H])C3([H])[H])N=N1
InChI
InChI=1S/C16H18F3N5O/c1-2-3-7-15(22-23-15)8-9-20-14(25)12-13(16(17,18)19)21-11-6-4-5-10-24(11)12/h1H,3-10H2,(H,20,25)
InChIKey
JWVQBFCRMBCFSA-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

32 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 5.35  LDD1880 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 11.71  LDD1880 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.54  LDD1880 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.46  LDD1880 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 7.41  LDD1880 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.78  LDD1880 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 4.99  LDD1880 
Choline kinase alpha (CHKA) LDTP03787 7.62  LDD1880 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 13.74  LDD1880 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 27.67  LDD1880 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.90  LDD1880 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.78  LDD1880 
Epoxide hydrolase 1 (EPHX1) LDTP02175 11.08  LDD1880 
Exonuclease 1 (EXO1) LDTP13751 7.52  LDD1880 
Ferrochelatase, mitochondrial (FECH) LDTP03198 37.53  LDD1880 
Heme oxygenase 1 (HMOX1) LDTP02359 4.99  LDD1880 
Heme oxygenase 2 (HMOX2) LDTP03540 11.47  LDD1880 
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase (AASDHPPT) LDTP12524 6.45  LDD1880 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.51  LDD1880 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.03  LDD1880 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.13  LDD1880 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.82  LDD1880 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.62  LDD1880 
Protein O-GlcNAcase (OGA) LDTP00988 9.85  LDD1880 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 5.35  LDD1880 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 7.84  LDD1880 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 11.24  LDD1880 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 15.24  LDD1880 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.28  LDD1880 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 5.35  LDD1880 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 5.46  LDD1880 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 8.00  LDD1880 
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⏷ Show the Full List of 32 Enzyme
23 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 4.99  LDD1880 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 7.57  LDD1880 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.11  LDD1880 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 6.45  LDD1880 
Metaxin-1 (MTX1) LDTP05900 7.89  LDD1880 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 6.68  LDD1880 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 9.71  LDD1880 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.22  LDD1880 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 9.25  LDD1880 
Prosaposin (PSAP) LDTP02215 7.67  LDD1880 
Protein GPR107 (GPR107) LDTP07236 8.82  LDD1880 
Protein tweety homolog 3 (TTYH3) LDTP11615 5.17  LDD1880 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.63  LDD1880 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 7.52  LDD1880 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 11.24  LDD1880 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 10.27  LDD1880 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 5.28  LDD1880 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.24  LDD1880 
Transferrin receptor protein 1 (TFRC) LDTP01969 5.78  LDD1880 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.82  LDD1880 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 11.63  LDD1880 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.25  LDD1880 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.43  LDD1880 
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⏷ Show the Full List of 23 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Zinc finger CCCH domain-containing protein 4 (ZC3H4) LDTP13718 5.10  LDD1880 
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19 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 11.08  LDD1880 
Centrosomal protein 43 (CEP43) LDTP01652 11.47  LDD1880 
Dynactin subunit 3 (DCTN3) LDTP01359 5.06  LDD1880 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 6.63  LDD1880 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.58  LDD1880 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 8.88  LDD1880 
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.69  LDD1880 
MAGUK p55 subfamily member 2 (MPP2) LDTP06068 7.11  LDD1880 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 13.55  LDD1880 
Neudesin (NENF) LDTP13630 6.77  LDD1880 
Nucleobindin-1 (NUCB1) LDTP05375 5.17  LDD1880 
Nucleobindin-2 (NUCB2) LDTP05160 10.93  LDD1880 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 5.82  LDD1880 
Protein Hook homolog 2 (HOOK2) LDTP10255 7.52  LDD1880 
Reticulon-4 (RTN4) LDTP12412 5.03  LDD1880 
RNA-binding protein FXR2 (FXR2) LDTP04396 5.17  LDD1880 
Syntaxin-18 (STX18) LDTP13086 5.43  LDD1880 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 13.55  LDD1880 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.50  LDD1880 
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⏷ Show the Full List of 19 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
 LDD1880 
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