Details of the Probe

General Information of Probe

Probe ID
LDPC0414
Probe Name
C174
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 313.317
Lipid-water partition coefficient (xlogp) 1.7067
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H15N5O3
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])nc3c(c2[H])OC([H])([H])C(=O)N3[H])N=N1
InChI
InChI=1S/C15H15N5O3/c1-2-3-5-15(19-20-15)6-4-12(21)17-10-7-11-14(16-8-10)18-13(22)9-23-11/h1,7-8H,3-6,9H2,(H,17,21)(H,16,18,22)
InChIKey
UUJPXPZJMHIAAX-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

52 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 9.19  LDD1854 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 54.95  LDD1854 
Adenosine deaminase (ADA) LDTP01803 4.96  LDD1854 
Adenosine kinase (ADK) LDTP04689 25.63  LDD1854 
ADP-ribosylation factor-like protein 10 (ARL10) LDTP19745 4.96  LDD1854 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 12.55  LDD1854 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.94  LDD1854 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 9.58  LDD1854 
BRCA1-associated RING domain protein 1 (BARD1) LDTP10961 4.92  LDD1854 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 8.88  LDD1854 
Ceramide synthase 1 (CERS1) LDTP03394 9.19  LDD1854 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 6.87  LDD1854 
Cytochrome b5 type B (CYB5B) LDTP00697 13.55  LDD1854 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 4.96  LDD1854 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.58  LDD1854 
Delta(24)-sterol reductase (DHCR24) LDTP06375 15.56  LDD1854 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 5.39  LDD1854 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 20.68  LDD1854 
DNA-directed RNA polymerase I subunit RPA43 (POLR1F) LDTP14904 5.94  LDD1854 
Dynamin-1 (DNM1) LDTP05447 6.77  LDD1854 
Dynamin-2 (DNM2) LDTP04374 6.11  LDD1854 
E3 ubiquitin-protein ligase RNF213 (RNF213) LDTP07283 4.99  LDD1854 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.54  LDD1854 
Epoxide hydrolase 1 (EPHX1) LDTP02175 16.22  LDD1854 
Exonuclease 1 (EXO1) LDTP13751 7.06  LDD1854 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 6.87  LDD1854 
Heme oxygenase 2 (HMOX2) LDTP03540 8.63  LDD1854 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 15.89  LDD1854 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 15.03  LDD1854 
Lathosterol oxidase (SC5D) LDTP01329 12.13  LDD1854 
Macrophage migration inhibitory factor (MIF) LDTP02713 5.74  LDD1854 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 6.59  LDD1854 
NAD(P)H-hydrate epimerase (NAXE) LDTP09110 11.47  LDD1854 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.82  LDD1854 
Nardilysin (NRDC) LDTP00886 4.92  LDD1854 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.39  LDD1854 
Oligoribonuclease, mitochondrial (REXO2) LDTP13972 4.99  LDD1854 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 4.92  LDD1854 
Phosphorylase b kinase regulatory subunit beta (PHKB) LDTP09984 16.80  LDD1854 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 5.74  LDD1854 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.46  LDD1854 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 7.46  LDD1854 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 21.11  LDD1854 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 8.17  LDD1854 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 5.62  LDD1854 
S-adenosylhomocysteine hydrolase-like protein 1 (AHCYL1) LDTP00890 5.31  LDD1854 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.73  LDD1854 
Sphingosine kinase 2 (SPHK2) LDTP12490 4.92  LDD1854 
Telomerase-binding protein EST1A (SMG6) LDTP08246 5.98  LDD1854 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 6.06  LDD1854 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 4.99  LDD1854 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 9.13  LDD1854 
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⏷ Show the Full List of 52 Enzyme
20 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.02  LDD1854 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 5.86  LDD1854 
Metaxin-1 (MTX1) LDTP05900 8.34  LDD1854 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.69  LDD1854 
Mpv17-like protein 2 (MPV17L2) LDTP14952 14.93  LDD1854 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 6.41  LDD1854 
Protein ARV1 (ARV1) LDTP11812 4.99  LDD1854 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 8.40  LDD1854 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.32  LDD1854 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.85  LDD1854 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.31  LDD1854 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.82  LDD1854 
Surfeit locus protein 4 (SURF4) LDTP00592 5.35  LDD1854 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 6.36  LDD1854 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.87  LDD1854 
Transmembrane protein 199 (TMEM199) LDTP08881 5.90  LDD1854 
Transmembrane protein 59 (TMEM59) LDTP11406 5.74  LDD1854 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.36  LDD1854 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 15.67  LDD1854 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 16.00  LDD1854 
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⏷ Show the Full List of 20 Transporter and channel
26 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 6.06  LDD1854 
Ashwin (C2orf49) LDTP15896 11.79  LDD1854 
Calumenin (CALU) LDTP00887 5.13  LDD1854 
Centrosomal protein 43 (CEP43) LDTP01652 7.21  LDD1854 
Clustered mitochondria protein homolog (CLUH) LDTP14486 8.57  LDD1854 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 8.40  LDD1854 
Dymeclin (DYM) LDTP08000 6.82  LDD1854 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.13  LDD1854 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 8.22  LDD1854 
Heterogeneous nuclear ribonucleoprotein H (HNRNPH1) LDTP03615 5.06  LDD1854 
Kelch-like ECH-associated protein 1 (KEAP1) LDTP06051 5.31  LDD1854 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.92  LDD1854 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 9.00  LDD1854 
Neuferricin (CYB5D2) LDTP15623 13.64  LDD1854 
Nucleobindin-2 (NUCB2) LDTP05160 7.84  LDD1854 
Optic atrophy 3 protein (OPA3) LDTP16006 9.06  LDD1854 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 16.91  LDD1854 
Proteasome assembly chaperone 1 (PSMG1) LDTP01608 5.62  LDD1854 
Protein misato homolog 1 (MSTO1) LDTP11239 5.70  LDD1854 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.98  LDD1854 
Reticulon-3 (RTN3) LDTP01522 4.99  LDD1854 
Syntaxin-18 (STX18) LDTP13086 6.28  LDD1854 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 4.99  LDD1854 
Tetratricopeptide repeat protein 21B (TTC21B) LDTP08073 5.39  LDD1854 
U6 snRNA-associated Sm-like protein LSm2 (LSM2) LDTP13946 6.06  LDD1854 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.46  LDD1854 
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⏷ Show the Full List of 26 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
 LDD1854 
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