Details of the Probe

General Information of Probe

Probe ID
LDPC0321
Probe Name
C064
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 335.358
Lipid-water partition coefficient (xlogp) 2.3912
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H19F2N5O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])n2nc(C([H])(F)F)c3c2C([H])([H])C([H])([H])C3([H])[H])N=N1
InChI
InChI=1S/C16H19F2N5O/c1-2-3-7-16(21-22-16)8-9-19-13(24)10-23-12-6-4-5-11(12)14(20-23)15(17)18/h1,15H,3-10H2,(H,19,24)
InChIKey
PPTCIVBVCLRZNZ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

88 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 16.34  LDD1761 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.50  LDD1761 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 8.40  LDD1761 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 11.31  LDD1761 
ADP-ribosylation factor 5 (ARF5) LDTP05193 6.19  LDD1761 
ADP-ribosylation factor-like protein 10 (ARL10) LDTP19745 33.82  LDD1761 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 6.11  LDD1761 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.25  LDD1761 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 9.65  LDD1761 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 8.40  LDD1761 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.28  LDD1761 
CDGSH iron-sulfur domain-containing protein 1 (CISD1) LDTP12873 6.82  LDD1761 
Ceramide glucosyltransferase (UGCG) LDTP06617 8.34  LDD1761 
Ceramide synthase 2 (CERS2) LDTP10329 9.19  LDD1761 
Choline kinase alpha (CHKA) LDTP03787 18.51  LDD1761 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 7.94  LDD1761 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 12.30  LDD1761 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 11.71  LDD1761 
Cytochrome b5 type B (CYB5B) LDTP00697 9.32  LDD1761 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 7.52  LDD1761 
DCN1-like protein 4 (DCUN1D4) LDTP09799 6.63  LDD1761 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.36  LDD1761 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 7.36  LDD1761 
Delta(24)-sterol reductase (DHCR24) LDTP06375 16.11  LDD1761 
Dihydrofolate reductase (DHFR) LDTP01769 6.41  LDD1761 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 9.45  LDD1761 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 9.51  LDD1761 
Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial (ETFDH) LDTP06511 7.36  LDD1761 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.11  LDD1761 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 9.13  LDD1761 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 7.01  LDD1761 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.11  LDD1761 
Glutathione S-transferase A4 (GSTA4) LDTP00575 8.06  LDD1761 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 6.28  LDD1761 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 6.92  LDD1761 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 9.45  LDD1761 
Heme oxygenase 1 (HMOX1) LDTP02359 11.08  LDD1761 
Heme oxygenase 2 (HMOX2) LDTP03540 32.45  LDD1761 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 6.28  LDD1761 
Isochorismatase domain-containing protein 1 (ISOC1) LDTP19851 7.31  LDD1761 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 20.25  LDD1761 
Long-chain-fatty-acid--CoA ligase 6 (ACSL6) LDTP13486 6.36  LDD1761 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 19.16  LDD1761 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 8.40  LDD1761 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.00  LDD1761 
Lysosomal protective protein (CTSA) LDTP02505 12.04  LDD1761 
N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase (PIGL) LDTP16258 8.28  LDD1761 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 9.13  LDD1761 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 11.79  LDD1761 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 10.27  LDD1761 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.08  LDD1761 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 8.28  LDD1761 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 6.96  LDD1761 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 12.73  LDD1761 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 10.41  LDD1761 
Palmitoyltransferase ZDHHC13 (ZDHHC13) LDTP08455 6.73  LDD1761 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 8.34  LDD1761 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 27.28  LDD1761 
Phenylalanine--tRNA ligase beta subunit (FARSB) LDTP12586 40.79  LDD1761 
Phospholipase A-2-activating protein (PLAA) LDTP13814 7.06  LDD1761 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.31  LDD1761 
Poly(A) polymerase alpha (PAPOLA) LDTP04394 8.57  LDD1761 
Polyamine-transporting ATPase 13A2 (ATP13A2) LDTP12386 6.41  LDD1761 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 11.16  LDD1761 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.94  LDD1761 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.06  LDD1761 
Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 9.32  LDD1761 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 7.11  LDD1761 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 10.70  LDD1761 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 6.41  LDD1761 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 6.92  LDD1761 
Protein O-GlcNAcase (OGA) LDTP00988 6.96  LDD1761 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 13.00  LDD1761 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 8.88  LDD1761 
Putative ATP-dependent RNA helicase DHX57 (DHX57) LDTP07502 6.68  LDD1761 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 7.52  LDD1761 
RAC-beta serine/threonine-protein kinase (AKT2) LDTP03608 7.78  LDD1761 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 13.18  LDD1761 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.63  LDD1761 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.82  LDD1761 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 8.06  LDD1761 
Serine/threonine-protein kinase PLK1 (PLK1) LDTP04555 8.11  LDD1761 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.31  LDD1761 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 7.26  LDD1761 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 5.94  LDD1761 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.11  LDD1761 
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 9.00  LDD1761 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 9.00  LDD1761 
------------------------------------------------------------------------------------
⏷ Show the Full List of 88 Enzyme
47 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 11.08  LDD1761 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 9.65  LDD1761 
BRI3-binding protein (BRI3BP) LDTP15648 9.38  LDD1761 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 6.06  LDD1761 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 51.98  LDD1761 
Exocyst complex component 3 (EXOC3) LDTP01016 9.65  LDD1761 
H(+)/Cl(-) exchange transporter 7 (CLCN7) LDTP04463 9.25  LDD1761 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 7.31  LDD1761 
Intraflagellar transport protein 56 (IFT56) LDTP00010 6.50  LDD1761 
Lysosome membrane protein 2 (SCARB2) LDTP06034 22.32  LDD1761 
Metaxin-1 (MTX1) LDTP05900 8.57  LDD1761 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 27.47  LDD1761 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 26.72  LDD1761 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 12.04  LDD1761 
Mpv17-like protein 2 (MPV17L2) LDTP14952 13.64  LDD1761 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 10.48  LDD1761 
Nucleoporin NDC1 (NDC1) LDTP11213 6.23  LDD1761 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 7.67  LDD1761 
Prosaposin (PSAP) LDTP02215 8.11  LDD1761 
Protein GPR107 (GPR107) LDTP07236 9.71  LDD1761 
Protein GPR108 (GPR108) LDTP12383 11.39  LDD1761 
Proton-coupled amino acid transporter 1 (SLC36A1) LDTP08016 6.19  LDD1761 
Putative divalent cation/proton antiporter TMEM165 (TMEM165) LDTP12207 6.50  LDD1761 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 11.88  LDD1761 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 12.82  LDD1761 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 10.85  LDD1761 
Solute carrier family 2, facilitated glucose transporter member 4 (SLC2A4) LDTP02740 9.65  LDD1761 
Sorting nexin-19 (SNX19) LDTP09788 8.00  LDD1761 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 9.45  LDD1761 
Stomatin (STOM) LDTP03380 6.02  LDD1761 
Surfeit locus protein 4 (SURF4) LDTP00592 6.45  LDD1761 
Tetraspanin-3 (TSPAN3) LDTP16813 9.92  LDD1761 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 9.78  LDD1761 
Translocator protein (TSPO) LDTP03546 8.51  LDD1761 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 9.13  LDD1761 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 9.06  LDD1761 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 10.13  LDD1761 
Transmembrane emp24 domain-containing protein 7 (TMED7) LDTP13969 7.73  LDD1761 
Transmembrane emp24 domain-containing protein 9 (TMED9) LDTP11291 5.94  LDD1761 
Transmembrane protein 126A (TMEM126A) LDTP15948 11.31  LDD1761 
Transmembrane protein 160 (TMEM160) LDTP20002 12.82  LDD1761 
Transmembrane protein 199 (TMEM199) LDTP08881 10.34  LDD1761 
Transmembrane protein 230 (TMEM230) LDTP10065 7.11  LDD1761 
Transmembrane protein 87A (TMEM87A) LDTP15481 16.00  LDD1761 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 12.64  LDD1761 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 12.82  LDD1761 
Zinc transporter SLC39A7 (SLC39A7) LDTP09769 6.02  LDD1761 
------------------------------------------------------------------------------------
⏷ Show the Full List of 47 Transporter and channel
52 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 6.73  LDD1761 
Apolipoprotein L2 (APOL2) LDTP11076 15.56  LDD1761 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 17.63  LDD1761 
Centrosomal protein 43 (CEP43) LDTP01652 9.06  LDD1761 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.78  LDD1761 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 5.98  LDD1761 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 11.79  LDD1761 
DET1- and DDB1-associated protein 1 (DDA1) LDTP11312 18.00  LDD1761 
Dymeclin (DYM) LDTP08000 6.77  LDD1761 
Dynactin subunit 3 (DCTN3) LDTP01359 8.17  LDD1761 
Dynactin subunit 4 (DCTN4) LDTP13402 9.13  LDD1761 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 6.02  LDD1761 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 7.46  LDD1761 
FHF complex subunit HOOK-interacting protein 2B (FHIP2B) LDTP17580 11.88  LDD1761 
General transcription factor IIF subunit 1 (GTF2F1) LDTP03729 32.90  LDD1761 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 10.93  LDD1761 
Golgi phosphoprotein 3 (GOLPH3) LDTP11911 5.98  LDD1761 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 7.78  LDD1761 
HCLS1-associated protein X-1 (HAX1) LDTP00199 6.45  LDD1761 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 6.19  LDD1761 
Large proline-rich protein BAG6 (BAG6) LDTP04094 7.21  LDD1761 
Large ribosomal subunit protein uL10m (MRPL10) LDTP08154 14.72  LDD1761 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 20.82  LDD1761 
Mediator of RNA polymerase II transcription subunit 24 (MED24) LDTP01225 6.82  LDD1761 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 5.98  LDD1761 
Membralin (TMEM259) LDTP14939 7.84  LDD1761 
Mitochondrial fission factor (MFF) LDTP11670 6.82  LDD1761 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 21.71  LDD1761 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 18.90  LDD1761 
Negative elongation factor E (NELFE) LDTP02960 7.01  LDD1761 
Nucleobindin-1 (NUCB1) LDTP05375 15.56  LDD1761 
Nucleobindin-2 (NUCB2) LDTP05160 15.24  LDD1761 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 11.16  LDD1761 
Pre-mRNA-splicing factor SPF27 (BCAS2) LDTP01358 6.96  LDD1761 
PRELI domain containing protein 3B (PRELID3B) LDTP18569 8.34  LDD1761 
Proteasome activator complex subunit 3 (PSME3) LDTP04917 7.31  LDD1761 
Protein FAM114A2 (FAM114A2) LDTP16080 8.40  LDD1761 
Protein FAM136A (FAM136A) LDTP18132 7.41  LDD1761 
Protein FAM162A (FAM162A) LDTP10056 6.82  LDD1761 
Protein kinase C and casein kinase substrate in neurons protein 2 (PACSIN2) LDTP13656 6.87  LDD1761 
Protein SET (SET) LDTP05277 6.87  LDD1761 
Rap guanine nucleotide exchange factor 6 (RAPGEF6) LDTP09509 8.57  LDD1761 
Reticulon-3 (RTN3) LDTP01522 10.13  LDD1761 
Reticulon-4 (RTN4) LDTP12412 6.50  LDD1761 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.15  LDD1761 
Synaptogyrin-2 (SYNGR2) LDTP00859 6.77  LDD1761 
Syntaxin-18 (STX18) LDTP13086 9.58  LDD1761 
T-complex protein 11-like protein 1 (TCP11L1) LDTP12629 6.45  LDD1761 
Tetraspanin-6 (TSPAN6) LDTP14458 13.55  LDD1761 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 8.51  LDD1761 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 43.11  LDD1761 
Vacuolar protein sorting-associated protein 52 homolog (VPS52) LDTP08766 7.94  LDD1761 
------------------------------------------------------------------------------------
⏷ Show the Full List of 52 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
 LDD1761 
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