Details of the Probe

General Information of Probe

Probe ID
LDPC0510
Probe Name
C280
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.428
Lipid-water partition coefficient (xlogp) 2.6429
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H18N6OS
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])c2sc(-n3nc([H])c([H])c3[H])nc2[H])N=N1
InChI
InChI=1S/C16H18N6OS/c1-3-4-7-16(19-20-16)8-6-14(23)21(2)12-13-11-17-15(24-13)22-10-5-9-18-22/h1,5,9-11H,4,6-8,12H2,2H3
InChIKey
SPCAJHQXRIKAGG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

104 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-hydroxyacyl-CoA lyase 2 (ILVBL) LDTP00032 10.63  LDD1950 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 16.22  LDD1950 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 9.13  LDD1950 
5'-nucleotidase domain-containing protein 2 (NT5DC2) LDTP18414 9.71  LDD1950 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 13.18  LDD1950 
Acid ceramidase (ASAH1) LDTP05905 15.67  LDD1950 
Adenosine deaminase (ADA) LDTP01803 47.18  LDD1950 
ADP-ribose pyrophosphatase, mitochondrial (NUDT9) LDTP11318 9.92  LDD1950 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 10.93  LDD1950 
All-trans-retinol 13,14-reductase (RETSAT) LDTP15097 12.47  LDD1950 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.25  LDD1950 
Beta-glucuronidase (GUSB) LDTP02260 8.94  LDD1950 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 12.64  LDD1950 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 13.64  LDD1950 
Calcium/calmodulin-dependent protein kinase type II subunit gamma (CAMK2G) LDTP05920 15.35  LDD1950 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 21.41  LDD1950 
CDGSH iron-sulfur domain-containing protein 1 (CISD1) LDTP12873 10.13  LDD1950 
Ceramide glucosyltransferase (UGCG) LDTP06617 13.74  LDD1950 
Ceramide synthase 1 (CERS1) LDTP03394 10.34  LDD1950 
Ceramide synthase 2 (CERS2) LDTP10329 9.92  LDD1950 
CTD small phosphatase-like protein 2 (CTDSPL2) LDTP14814 16.68  LDD1950 
Cyanocobalamin reductase / alkylcobalamin dealkylase (MMACHC) LDTP14073 9.25  LDD1950 
Cyclin-G-associated kinase (GAK) LDTP00497 11.63  LDD1950 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 15.89  LDD1950 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 9.00  LDD1950 
DCN1-like protein 5 (DCUN1D5) LDTP11199 12.82  LDD1950 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 25.28  LDD1950 
Delta(24)-sterol reductase (DHCR24) LDTP06375 23.92  LDD1950 
Dihydrofolate reductase (DHFR) LDTP01769 39.67  LDD1950 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 11.96  LDD1950 
Dol-P-Man:Man(7)GlcNAc(2)-PP-Dol alpha-1,6-mannosyltransferase (ALG12) LDTP11259 23.75  LDD1950 
E3 ubiquitin-protein ligase listerin (LTN1) LDTP01430 8.82  LDD1950 
Endoplasmic reticulum aminopeptidase 2 (ERAP2) LDTP07503 17.51  LDD1950 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 23.10  LDD1950 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.27  LDD1950 
Epoxide hydrolase 1 (EPHX1) LDTP02175 20.68  LDD1950 
Ethanolamine kinase 1 (ETNK1) LDTP12197 26.35  LDD1950 
Exonuclease 1 (EXO1) LDTP13751 11.79  LDD1950 
Exostosin-2 (EXT2) LDTP09971 11.88  LDD1950 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 36.25  LDD1950 
Glutathione reductase, mitochondrial (GSR) LDTP01771 10.63  LDD1950 
Glycogenin-1 (GYG1) LDTP04119 10.13  LDD1950 
GTP-binding protein SAR1b (SAR1B) LDTP14231 9.13  LDD1950 
GTP:AMP phosphotransferase AK3, mitochondrial (AK3) LDTP13352 12.91  LDD1950 
Haloacid dehalogenase-like hydrolase domain-containing protein 3 (HDHD3) LDTP15879 15.03  LDD1950 
Heme oxygenase 1 (HMOX1) LDTP02359 16.34  LDD1950 
Heme oxygenase 2 (HMOX2) LDTP03540 50.56  LDD1950 
Histone-arginine methyltransferase CARM1 (CARM1) LDTP08352 9.99  LDD1950 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 11.88  LDD1950 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 12.04  LDD1950 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 9.78  LDD1950 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 11.63  LDD1950 
Kynurenine--oxoglutarate transaminase 3 (KYAT3) LDTP07763 8.94  LDD1950 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 11.08  LDD1950 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 12.73  LDD1950 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 9.65  LDD1950 
Lysophospholipid acyltransferase 7 (MBOAT7) LDTP10612 11.79  LDD1950 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 26.35  LDD1950 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 15.03  LDD1950 
Lysosomal protective protein (CTSA) LDTP02505 11.55  LDD1950 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 10.78  LDD1950 
Macrophage migration inhibitory factor (MIF) LDTP02713 12.47  LDD1950 
Mannose-1-phosphate guanyltransferase beta (GMPPB) LDTP14141 9.45  LDD1950 
Methionine aminopeptidase 1 (METAP1) LDTP04565 11.88  LDD1950 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 13.93  LDD1950 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 28.84  LDD1950 
NIF3-like protein 1 (NIF3L1) LDTP11648 10.27  LDD1950 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 18.77  LDD1950 
Peptidyl-glycine alpha-amidating monooxygenase (PAM) LDTP02976 14.03  LDD1950 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 9.71  LDD1950 
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (PIP4K2C) LDTP09355 11.08  LDD1950 
Phospholipase A-2-activating protein (PLAA) LDTP13814 15.03  LDD1950 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.79  LDD1950 
Platelet-activating factor acetylhydrolase IB subunit alpha2 (PAFAH1B2) LDTP05078 10.06  LDD1950 
Polyamine-transporting ATPase 13A2 (ATP13A2) LDTP12386 11.96  LDD1950 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 15.45  LDD1950 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 10.13  LDD1950 
Prostaglandin reductase 3 (PTGR3) LDTP15422 23.10  LDD1950 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 16.91  LDD1950 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 8.75  LDD1950 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 18.64  LDD1950 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 9.13  LDD1950 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 19.29  LDD1950 
Pterin-4-alpha-carbinolamine dehydratase (PCBD1) LDTP04925 10.56  LDD1950 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 8.94  LDD1950 
RAC-alpha serine/threonine-protein kinase (AKT1) LDTP03607 11.39  LDD1950 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 11.24  LDD1950 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 32.90  LDD1950 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 10.20  LDD1950 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 11.24  LDD1950 
Septin-7 (SEPTIN7) LDTP06513 9.19  LDD1950 
Serine protease HTRA2, mitochondrial (HTRA2) LDTP00773 10.34  LDD1950 
Serine/threonine-protein kinase PLK1 (PLK1) LDTP04555 9.45  LDD1950 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 12.91  LDD1950 
Sialate O-acetylesterase (SIAE) LDTP12135 9.00  LDD1950 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 9.78  LDD1950 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 9.25  LDD1950 
Sulfotransferase 2A1 (SULT2A1) LDTP05493 9.00  LDD1950 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 11.63  LDD1950 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 8.75  LDD1950 
Ubiquitin carboxyl-terminal hydrolase 28 (USP28) LDTP10785 10.06  LDD1950 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 13.36  LDD1950 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 10.06  LDD1950 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 11.08  LDD1950 
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⏷ Show the Full List of 104 Enzyme
54 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 9.58  LDD1950 
Annexin A1 (ANXA1) LDTP02010 9.45  LDD1950 
ATP synthase subunit a (MT-ATP6) LDTP01804 17.63  LDD1950 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 14.83  LDD1950 
BRI3-binding protein (BRI3BP) LDTP15648 12.30  LDD1950 
Ceroid-lipofuscinosis neuronal protein 6 (CLN6) LDTP12738 14.12  LDD1950 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 11.24  LDD1950 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 29.65  LDD1950 
Growth hormone-inducible transmembrane protein (GHITM) LDTP11869 10.06  LDD1950 
H(+)/Cl(-) exchange transporter 6 (CLCN6) LDTP04462 13.36  LDD1950 
H(+)/Cl(-) exchange transporter 7 (CLCN7) LDTP04463 19.84  LDD1950 
Integral membrane protein 2B (ITM2B) LDTP13833 9.78  LDD1950 
Lysosome membrane protein 2 (SCARB2) LDTP06034 15.14  LDD1950 
Major facilitator superfamily domain-containing protein 10 (MFSD10) LDTP06198 10.70  LDD1950 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 18.77  LDD1950 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 10.27  LDD1950 
Metaxin-1 (MTX1) LDTP05900 11.55  LDD1950 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 12.91  LDD1950 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 11.24  LDD1950 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 14.22  LDD1950 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 18.90  LDD1950 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 9.85  LDD1950 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 13.09  LDD1950 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 8.94  LDD1950 
Mpv17-like protein 2 (MPV17L2) LDTP14952 23.43  LDD1950 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 9.85  LDD1950 
Nucleoporin NDC1 (NDC1) LDTP11213 10.41  LDD1950 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 27.47  LDD1950 
Protein GPR107 (GPR107) LDTP07236 18.25  LDD1950 
Protein GPR108 (GPR108) LDTP12383 46.85  LDD1950 
Protein tweety homolog 3 (TTYH3) LDTP11615 13.83  LDD1950 
Proton-coupled zinc antiporter SLC30A5 (SLC30A5) LDTP09294 14.22  LDD1950 
Reduced folate transporter (SLC19A1) LDTP03952 10.63  LDD1950 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 13.64  LDD1950 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 32.45  LDD1950 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 15.03  LDD1950 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 18.64  LDD1950 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 9.32  LDD1950 
Stomatin (STOM) LDTP03380 10.34  LDD1950 
Surfeit locus protein 4 (SURF4) LDTP00592 9.65  LDD1950 
Tetraspanin-10 (TSPAN10) LDTP15967 11.96  LDD1950 
Tetraspanin-3 (TSPAN3) LDTP16813 17.27  LDD1950 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 15.56  LDD1950 
Translocator protein (TSPO) LDTP03546 17.88  LDD1950 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 10.63  LDD1950 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 11.71  LDD1950 
Transmembrane protein 126A (TMEM126A) LDTP15948 51.27  LDD1950 
Transmembrane protein 87A (TMEM87A) LDTP15481 15.03  LDD1950 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 11.24  LDD1950 
Vacuole membrane protein 1 (VMP1) LDTP10343 12.21  LDD1950 
Vezatin (VEZT) LDTP12191 10.78  LDD1950 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 28.44  LDD1950 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 32.45  LDD1950 
Zinc transporter 7 (SLC30A7) LDTP09180 10.06  LDD1950 
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⏷ Show the Full List of 54 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
DnaJ homolog subfamily C member 2 (DNAJC2) LDTP10891 11.71  LDD1950 
Y-box-binding protein 1 (YBX1) LDTP05065 9.58  LDD1950 
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46 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 12.21  LDD1950 
Apolipoprotein L2 (APOL2) LDTP11076 13.74  LDD1950 
Clustered mitochondria protein homolog (CLUH) LDTP14486 11.31  LDD1950 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 9.06  LDD1950 
Dymeclin (DYM) LDTP08000 9.51  LDD1950 
ELMO domain-containing protein 2 (ELMOD2) LDTP17659 9.58  LDD1950 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 8.82  LDD1950 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 40.22  LDD1950 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 13.18  LDD1950 
F-actin-capping protein subunit beta (CAPZB) LDTP04127 10.41  LDD1950 
FUN14 domain-containing protein 2 (FUNDC2) LDTP11326 9.58  LDD1950 
Ganglioside GM2 activator (GM2A) LDTP02927 12.91  LDD1950 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 11.16  LDD1950 
Heat shock 70 kDa protein 14 (HSPA14) LDTP14819 22.94  LDD1950 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 8.75  LDD1950 
Kinesin light chain 4 (KLC4) LDTP12591 10.85  LDD1950 
Kinetochore protein Spc24 (SPC24) LDTP09069 11.31  LDD1950 
Large ribosomal subunit protein bL28m (MRPL28) LDTP05741 8.94  LDD1950 
MAGUK p55 subfamily member 2 (MPP2) LDTP06068 12.64  LDD1950 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 9.92  LDD1950 
Mitochondrial import receptor subunit TOM20 homolog (TOMM20) LDTP06373 13.18  LDD1950 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 11.00  LDD1950 
Neurofibromin (NF1) LDTP03108 10.13  LDD1950 
Nucleobindin-2 (NUCB2) LDTP05160 13.27  LDD1950 
Nucleolar protein 9 (NOP9) LDTP15283 41.93  LDD1950 
Optic atrophy 3 protein (OPA3) LDTP16006 9.65  LDD1950 
Phosducin-like protein 3 (PDCL3) LDTP11825 10.56  LDD1950 
Protein bicaudal D homolog 2 (BICD2) LDTP09410 9.19  LDD1950 
Protein CEBPZOS (CEBPZOS) LDTP18883 14.52  LDD1950 
Protein CutA (CUTA) LDTP01075 13.45  LDD1950 
Protein FAM114A2 (FAM114A2) LDTP16080 16.22  LDD1950 
Protein FAM162A (FAM162A) LDTP10056 9.32  LDD1950 
Protein jagunal homolog 1 (JAGN1) LDTP08904 9.92  LDD1950 
Protein TASOR (TASOR) LDTP13430 9.19  LDD1950 
Protein unc-119 homolog B (UNC119B) LDTP00105 32.45  LDD1950 
Reticulon-3 (RTN3) LDTP01522 12.64  LDD1950 
RNA-binding protein 3 (RBM3) LDTP05226 10.13  LDD1950 
RNA-binding protein FXR1 (FXR1) LDTP04395 9.71  LDD1950 
RNA-binding protein FXR2 (FXR2) LDTP04396 9.92  LDD1950 
Small ribosomal subunit protein mS22 (MRPS22) LDTP05175 14.22  LDD1950 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 9.99  LDD1950 
TBC1 domain family member 9B (TBC1D9B) LDTP15057 10.13  LDD1950 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 9.13  LDD1950 
Trophoblast glycoprotein (TPBG) LDTP05960 10.56  LDD1950 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 18.77  LDD1950 
Vacuolar protein-sorting-associated protein 25 (VPS25) LDTP11108 12.13  LDD1950 
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⏷ Show the Full List of 46 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
 LDD1950 
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