Details of the Probe

General Information of Probe

Probe ID
LDPC0381
Probe Name
C139
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.423
Lipid-water partition coefficient (xlogp) 3.55762
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H22N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])c2c([H])nc3c([H])c([H])c(C([H])([H])[H])c([H])c3c2[H])N=N1
InChI
InChI=1S/C20H22N4O/c1-3-4-9-20(23-24-20)10-7-19(25)21-11-8-16-13-17-12-15(2)5-6-18(17)22-14-16/h1,5-6,12-14H,4,7-11H2,2H3,(H,21,25)
InChIKey
RVMWRVRAHOIAOZ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

95 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon (AGPAT5) LDTP12639 13.09  LDD1821 
2-hydroxyacyl-CoA lyase 2 (ILVBL) LDTP00032 11.00  LDD1821 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 31.78  LDD1821 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 12.91  LDD1821 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 27.28  LDD1821 
Acid ceramidase (ASAH1) LDTP05905 11.39  LDD1821 
Adenosine deaminase (ADA) LDTP01803 14.32  LDD1821 
ADP-dependent glucokinase (ADPGK) LDTP11127 14.32  LDD1821 
ADP-ribosylation factor-like protein 10 (ARL10) LDTP19745 18.25  LDD1821 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 13.09  LDD1821 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 11.00  LDD1821 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 16.56  LDD1821 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 12.47  LDD1821 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 16.80  LDD1821 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 19.16  LDD1821 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 15.03  LDD1821 
Catechol O-methyltransferase (COMT) LDTP03145 10.78  LDD1821 
Ceramide synthase 2 (CERS2) LDTP10329 14.32  LDD1821 
Choline kinase alpha (CHKA) LDTP03787 11.16  LDD1821 
Copper-transporting ATPase 2 (ATP7B) LDTP03779 10.63  LDD1821 
Cytochrome b-c1 complex subunit 1, mitochondrial (UQCRC1) LDTP03610 10.56  LDD1821 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 23.75  LDD1821 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 16.80  LDD1821 
Cytochrome b5 type B (CYB5B) LDTP00697 42.22  LDD1821 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 11.96  LDD1821 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 16.56  LDD1821 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 10.85  LDD1821 
Delta(24)-sterol reductase (DHCR24) LDTP06375 17.39  LDD1821 
Dihydrofolate reductase (DHFR) LDTP01769 54.19  LDD1821 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 14.32  LDD1821 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 11.39  LDD1821 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 11.00  LDD1821 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 21.41  LDD1821 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 10.78  LDD1821 
Epoxide hydrolase 1 (EPHX1) LDTP02175 29.65  LDD1821 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 15.14  LDD1821 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 14.32  LDD1821 
Heme oxygenase 1 (HMOX1) LDTP02359 14.42  LDD1821 
Heme oxygenase 2 (HMOX2) LDTP03540 41.36  LDD1821 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 12.91  LDD1821 
Histone-lysine N-methyltransferase NSD3 (NSD3) LDTP11518 15.14  LDD1821 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 10.34  LDD1821 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 13.27  LDD1821 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 10.70  LDD1821 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 16.80  LDD1821 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 16.56  LDD1821 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 14.52  LDD1821 
Lysosomal protective protein (CTSA) LDTP02505 22.16  LDD1821 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 12.13  LDD1821 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 12.91  LDD1821 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 24.76  LDD1821 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 23.59  LDD1821 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 22.47  LDD1821 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 11.55  LDD1821 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 16.34  LDD1821 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 14.32  LDD1821 
NADH dehydrogenase 1 beta subcomplex subunit 10 (NDUFB10) LDTP01743 10.85  LDD1821 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 22.94  LDD1821 
NADPH--cytochrome P450 reductase (POR) LDTP02848 10.70  LDD1821 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 13.83  LDD1821 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 19.29  LDD1821 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 18.64  LDD1821 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 18.13  LDD1821 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 15.56  LDD1821 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 19.16  LDD1821 
Peroxisomal acyl-coenzyme A oxidase 1 (ACOX1) LDTP06307 10.34  LDD1821 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 10.78  LDD1821 
Phosphatidylserine decarboxylase proenzyme, mitochondrial (PISD) LDTP13220 12.04  LDD1821 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.00  LDD1821 
Pirin (PIR) LDTP00325 35.26  LDD1821 
Presequence protease, mitochondrial (PITRM1) LDTP07003 10.78  LDD1821 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 12.91  LDD1821 
Prostaglandin reductase 3 (PTGR3) LDTP15422 73.52  LDD1821 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 12.91  LDD1821 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 11.31  LDD1821 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 11.63  LDD1821 
Protein SCO1 homolog, mitochondrial (SCO1) LDTP01335 15.89  LDD1821 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 17.51  LDD1821 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 16.11  LDD1821 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 12.21  LDD1821 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 13.64  LDD1821 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 21.56  LDD1821 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 12.21  LDD1821 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 31.56  LDD1821 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 19.03  LDD1821 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 12.13  LDD1821 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 18.00  LDD1821 
Squalene synthase (FDFT1) LDTP03842 32.67  LDD1821 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 11.63  LDD1821 
Trimethylguanosine synthase (TGS1) LDTP10780 17.88  LDD1821 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 14.52  LDD1821 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 12.38  LDD1821 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 22.94  LDD1821 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 10.48  LDD1821 
Xaa-Pro aminopeptidase 1 (XPNPEP1) LDTP12444 11.31  LDD1821 
------------------------------------------------------------------------------------
⏷ Show the Full List of 95 Enzyme
53 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 12.91  LDD1821 
ADP/ATP translocase 1 (SLC25A4) LDTP02608 16.34  LDD1821 
Annexin A1 (ANXA1) LDTP02010 12.55  LDD1821 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 37.01  LDD1821 
BRI3-binding protein (BRI3BP) LDTP15648 14.12  LDD1821 
Cell division cycle protein 20 homolog (CDC20) LDTP05662 10.85  LDD1821 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 34.06  LDD1821 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.53  LDD1821 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 25.63  LDD1821 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 10.70  LDD1821 
Integral membrane protein 2C (ITM2C) LDTP12451 10.85  LDD1821 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 10.34  LDD1821 
Lysosome membrane protein 2 (SCARB2) LDTP06034 18.38  LDD1821 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 50.91  LDD1821 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 11.31  LDD1821 
Metaxin-1 (MTX1) LDTP05900 13.36  LDD1821 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 11.24  LDD1821 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 13.27  LDD1821 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 12.55  LDD1821 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 85.04  LDD1821 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 48.84  LDD1821 
Mitochondrial import inner membrane translocase subunit Tim23 (TIMM23) LDTP00477 10.85  LDD1821 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 21.56  LDD1821 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 30.70  LDD1821 
Mpv17-like protein 2 (MPV17L2) LDTP14952 36.76  LDD1821 
Nucleoporin NDC1 (NDC1) LDTP11213 14.03  LDD1821 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 37.53  LDD1821 
Phosphatidylinositol transfer protein beta isoform (PITPNB) LDTP04213 10.48  LDD1821 
Prosaposin (PSAP) LDTP02215 18.64  LDD1821 
Protein GPR107 (GPR107) LDTP07236 19.56  LDD1821 
Protein GPR108 (GPR108) LDTP12383 45.89  LDD1821 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 14.93  LDD1821 
Protein tweety homolog 3 (TTYH3) LDTP11615 12.30  LDD1821 
Proton-coupled amino acid transporter 1 (SLC36A1) LDTP08016 17.51  LDD1821 
Proton-coupled zinc antiporter SLC30A5 (SLC30A5) LDTP09294 11.16  LDD1821 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 16.11  LDD1821 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 17.39  LDD1821 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 13.00  LDD1821 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 27.47  LDD1821 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 13.45  LDD1821 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 15.14  LDD1821 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 24.08  LDD1821 
Tetraspanin-3 (TSPAN3) LDTP16813 10.41  LDD1821 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 22.32  LDD1821 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 15.14  LDD1821 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 23.43  LDD1821 
Transmembrane protein 126A (TMEM126A) LDTP15948 16.80  LDD1821 
Transmembrane protein 199 (TMEM199) LDTP08881 25.99  LDD1821 
Transmembrane protein 87A (TMEM87A) LDTP15481 12.64  LDD1821 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 11.39  LDD1821 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 45.89  LDD1821 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 38.05  LDD1821 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 11.16  LDD1821 
------------------------------------------------------------------------------------
⏷ Show the Full List of 53 Transporter and channel
61 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 13.55  LDD1821 
Apolipoprotein L2 (APOL2) LDTP11076 34.06  LDD1821 
Centromere protein K (CENPK) LDTP11143 14.22  LDD1821 
Centrosomal protein 43 (CEP43) LDTP01652 11.88  LDD1821 
Charged multivesicular body protein 7 (CHMP7) LDTP09589 10.56  LDD1821 
Clustered mitochondria protein homolog (CLUH) LDTP14486 24.42  LDD1821 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 10.56  LDD1821 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 15.03  LDD1821 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 12.38  LDD1821 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 20.97  LDD1821 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 12.04  LDD1821 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 38.59  LDD1821 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 11.00  LDD1821 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 21.56  LDD1821 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 10.48  LDD1821 
Heterogeneous nuclear ribonucleoprotein H (HNRNPH1) LDTP03615 10.78  LDD1821 
Heterogeneous nuclear ribonucleoprotein H2 (HNRNPH2) LDTP04714 10.41  LDD1821 
Integrator complex subunit 14 (INTS14) LDTP15834 12.13  LDD1821 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 10.70  LDD1821 
KH domain-containing, RNA-binding, signal transduction-associated protein 3 (KHDRBS3) LDTP01246 11.39  LDD1821 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 22.63  LDD1821 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 14.12  LDD1821 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 28.84  LDD1821 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 18.51  LDD1821 
Neudesin (NENF) LDTP13630 11.71  LDD1821 
Nucleobindin-1 (NUCB1) LDTP05375 22.94  LDD1821 
Nucleobindin-2 (NUCB2) LDTP05160 23.59  LDD1821 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 10.41  LDD1821 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 26.17  LDD1821 
PRELI domain containing protein 3B (PRELID3B) LDTP18569 19.43  LDD1821 
PRELI domain-containing protein 1, mitochondrial (PRELID1) LDTP13807 14.32  LDD1821 
Protein CEBPZOS (CEBPZOS) LDTP18883 13.74  LDD1821 
Protein CutA (CUTA) LDTP01075 13.18  LDD1821 
Protein FAM114A2 (FAM114A2) LDTP16080 12.38  LDD1821 
Protein FAM162A (FAM162A) LDTP10056 14.32  LDD1821 
Protein FAM3C (FAM3C) LDTP09773 13.18  LDD1821 
Protein LYRIC (MTDH) LDTP08224 10.85  LDD1821 
Protein unc-119 homolog B (UNC119B) LDTP00105 16.45  LDD1821 
Protein UXT (UXT) LDTP13125 12.30  LDD1821 
Reticulocalbin-2 (RCN2) LDTP06097 13.83  LDD1821 
Reticulon-3 (RTN3) LDTP01522 14.22  LDD1821 
Reticulon-4 (RTN4) LDTP12412 12.13  LDD1821 
Ribosome biogenesis protein SLX9 homolog (SLX9) LDTP16088 19.16  LDD1821 
RNA-binding motif protein, X chromosome (RBMX) LDTP03850 10.63  LDD1821 
RNA-binding protein 3 (RBM3) LDTP05226 11.08  LDD1821 
RNA-binding protein FUS (FUS) LDTP03775 11.39  LDD1821 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 11.24  LDD1821 
Small ribosomal subunit protein eS24 (RPS24) LDTP05012 18.00  LDD1821 
Stromal membrane-associated protein 2 (SMAP2) LDTP09563 11.08  LDD1821 
Synaptogyrin-2 (SYNGR2) LDTP00859 13.18  LDD1821 
Syntaxin-10 (STX10) LDTP00986 11.79  LDD1821 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 10.93  LDD1821 
Tetraspanin-6 (TSPAN6) LDTP14458 10.93  LDD1821 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 11.08  LDD1821 
TraB domain-containing protein (TRABD) LDTP19963 10.34  LDD1821 
Transmembrane protein 209 (TMEM209) LDTP18272 10.78  LDD1821 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 16.91  LDD1821 
Ubiquitin-fold modifier 1 (UFM1) LDTP04946 11.39  LDD1821 
Vimentin (VIM) LDTP02297 11.16  LDD1821 
WD repeat-containing protein 43 (WDR43) LDTP06305 16.80  LDD1821 
Zinc finger CCHC domain-containing protein 3 (ZCCHC3) LDTP12623 15.67  LDD1821 
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⏷ Show the Full List of 61 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
 LDD1821 
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