Details of the Probe

General Information of Probe

Probe ID
LDPC0578
Probe Name
C357
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.403
Lipid-water partition coefficient (xlogp) 3.68112
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H22FN3O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C([H])([H])c3c([H])c([H])c(F)c(C([H])([H])[H])c3[H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C19H22FN3O/c1-3-4-8-19(22-23-19)9-7-17(24)21-18(10-11-18)13-15-5-6-16(20)14(2)12-15/h1,5-6,12H,4,7-11,13H2,2H3,(H,21,24)
InChIKey
QFSQNNMIPAJGBI-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

81 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 7.78  LDD2018 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.46  LDD2018 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 6.45  LDD2018 
Acid ceramidase (ASAH1) LDTP05905 8.11  LDD2018 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 15.03  LDD2018 
ADP-dependent glucokinase (ADPGK) LDTP11127 5.82  LDD2018 
ADP-ribose pyrophosphatase, mitochondrial (NUDT9) LDTP11318 5.94  LDD2018 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 6.68  LDD2018 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 5.28  LDD2018 
Anaphase-promoting complex subunit 7 (ANAPC7) LDTP13409 7.46  LDD2018 
ATP-binding cassette sub-family C member 10 (ABCC10) LDTP07109 6.19  LDD2018 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 10.34  LDD2018 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 5.21  LDD2018 
Beta-1,3-galactosyltransferase 6 (B3GALT6) LDTP10530 5.70  LDD2018 
Beta-galactosidase (GLB1) LDTP02837 9.85  LDD2018 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.19  LDD2018 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 8.82  LDD2018 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 7.01  LDD2018 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 9.99  LDD2018 
Catechol O-methyltransferase (COMT) LDTP03145 7.01  LDD2018 
Ceramide glucosyltransferase (UGCG) LDTP06617 8.28  LDD2018 
Ceramide synthase 1 (CERS1) LDTP03394 8.94  LDD2018 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 6.19  LDD2018 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 6.36  LDD2018 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 8.69  LDD2018 
Cytochrome b5 type B (CYB5B) LDTP00697 27.86  LDD2018 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 6.36  LDD2018 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 6.82  LDD2018 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 8.06  LDD2018 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.45  LDD2018 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 6.19  LDD2018 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.19  LDD2018 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 5.13  LDD2018 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 9.58  LDD2018 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.51  LDD2018 
Epoxide hydrolase 1 (EPHX1) LDTP02175 19.97  LDD2018 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 8.06  LDD2018 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 5.21  LDD2018 
Glycerophosphodiester phosphodiesterase 1 (GDE1) LDTP12886 5.50  LDD2018 
Heme oxygenase 1 (HMOX1) LDTP02359 14.12  LDD2018 
Heme oxygenase 2 (HMOX2) LDTP03540 28.05  LDD2018 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 7.78  LDD2018 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.45  LDD2018 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 13.93  LDD2018 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 8.82  LDD2018 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.87  LDD2018 
Lysophospholipid acyltransferase 7 (MBOAT7) LDTP10612 5.21  LDD2018 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 8.34  LDD2018 
Lysosomal acid phosphatase (ACP2) LDTP02539 6.11  LDD2018 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.31  LDD2018 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 12.38  LDD2018 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 8.75  LDD2018 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 8.11  LDD2018 
Minor histocompatibility antigen H13 (HM13) LDTP09396 5.90  LDD2018 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 8.00  LDD2018 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 14.12  LDD2018 
NADH dehydrogenase 1 beta subcomplex subunit 8, mitochondrial (NDUFB8) LDTP01515 7.57  LDD2018 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.24  LDD2018 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 15.56  LDD2018 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 5.10  LDD2018 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 6.41  LDD2018 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 12.73  LDD2018 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 8.40  LDD2018 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.19  LDD2018 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 5.31  LDD2018 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 11.08  LDD2018 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.11  LDD2018 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 5.70  LDD2018 
Protein O-GlcNAcase (OGA) LDTP00988 6.54  LDD2018 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 6.15  LDD2018 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 11.00  LDD2018 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 14.83  LDD2018 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 8.22  LDD2018 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 6.96  LDD2018 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 5.10  LDD2018 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.36  LDD2018 
Squalene monooxygenase (SQLE) LDTP06142 5.58  LDD2018 
Squalene synthase (FDFT1) LDTP03842 11.88  LDD2018 
UbiA prenyltransferase domain-containing protein 1 (UBIAD1) LDTP14189 9.19  LDD2018 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 18.77  LDD2018 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 5.78  LDD2018 
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⏷ Show the Full List of 81 Enzyme
53 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 5.43  LDD2018 
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 7.31  LDD2018 
Amyloid-beta precursor protein (APP) LDTP02071 6.02  LDD2018 
ATP synthase subunit a (MT-ATP6) LDTP01804 23.43  LDD2018 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 15.89  LDD2018 
BOS complex subunit NCLN (NCLN) LDTP10036 7.62  LDD2018 
BRI3-binding protein (BRI3BP) LDTP15648 7.73  LDD2018 
Calcium uptake protein 2, mitochondrial (MICU2) LDTP08673 5.94  LDD2018 
Cell division cycle protein 20 homolog (CDC20) LDTP05662 14.12  LDD2018 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 28.25  LDD2018 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 24.76  LDD2018 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 6.36  LDD2018 
G-protein coupled receptor-associated protein LMBRD2 (LMBRD2) LDTP15064 5.50  LDD2018 
Golgi SNAP receptor complex member 1 (GOSR1) LDTP01542 5.10  LDD2018 
Importin-7 (IPO7) LDTP01574 5.13  LDD2018 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.21  LDD2018 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.34  LDD2018 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 7.89  LDD2018 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.23  LDD2018 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 9.45  LDD2018 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 5.54  LDD2018 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 54.95  LDD2018 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 66.72  LDD2018 
Mitochondrial import inner membrane translocase subunit Tim23 (TIMM23) LDTP00477 6.96  LDD2018 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 20.39  LDD2018 
Mitochondrial proton/calcium exchanger protein (LETM1) LDTP01525 5.13  LDD2018 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.45  LDD2018 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 6.50  LDD2018 
Nucleoporin NDC1 (NDC1) LDTP11213 6.36  LDD2018 
Prosaposin (PSAP) LDTP02215 14.52  LDD2018 
Protein FAM8A1 (FAM8A1) LDTP16190 5.35  LDD2018 
Protein spinster homolog 1 (SPNS1) LDTP11844 5.78  LDD2018 
Protein tweety homolog 3 (TTYH3) LDTP11615 18.64  LDD2018 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 6.54  LDD2018 
Reticulon-1 (RTN1) LDTP06633 11.08  LDD2018 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 13.00  LDD2018 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 7.78  LDD2018 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 18.51  LDD2018 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 7.84  LDD2018 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.66  LDD2018 
Tetraspanin-10 (TSPAN10) LDTP15967 13.64  LDD2018 
Tetraspanin-3 (TSPAN3) LDTP16813 12.55  LDD2018 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 12.30  LDD2018 
Transmembrane 9 superfamily member 2 (TM9SF2) LDTP15845 5.66  LDD2018 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 6.45  LDD2018 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 8.22  LDD2018 
Transmembrane emp24 domain-containing protein 7 (TMED7) LDTP13969 5.74  LDD2018 
Transmembrane protein 126A (TMEM126A) LDTP15948 9.32  LDD2018 
Transmembrane protein 160 (TMEM160) LDTP20002 11.24  LDD2018 
Transmembrane protein 199 (TMEM199) LDTP08881 9.85  LDD2018 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.54  LDD2018 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 16.80  LDD2018 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 28.05  LDD2018 
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⏷ Show the Full List of 53 Transporter and channel
1 GPCR Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Membrane progestin receptor alpha (PAQR7) LDTP15303 10.63  LDD2018 
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40 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 6.54  LDD2018 
Calmodulin-3 (CALM3) LDTP02443 6.82  LDD2018 
Centromere protein K (CENPK) LDTP11143 5.94  LDD2018 
Centrosomal protein 43 (CEP43) LDTP01652 7.46  LDD2018 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.71  LDD2018 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 18.13  LDD2018 
DNA replication complex GINS protein PSF2 (GINS2) LDTP13802 10.78  LDD2018 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 14.72  LDD2018 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 14.93  LDD2018 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.35  LDD2018 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 5.82  LDD2018 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 7.06  LDD2018 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 14.42  LDD2018 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 18.64  LDD2018 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 27.10  LDD2018 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 12.30  LDD2018 
Negative elongation factor C/D (NELFCD) LDTP08594 5.35  LDD2018 
Nucleobindin-1 (NUCB1) LDTP05375 10.93  LDD2018 
Nucleobindin-2 (NUCB2) LDTP05160 23.10  LDD2018 
Optic atrophy 3 protein (OPA3) LDTP16006 5.58  LDD2018 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.98  LDD2018 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 12.38  LDD2018 
Protein FAM114A2 (FAM114A2) LDTP16080 8.51  LDD2018 
Protein FAM162A (FAM162A) LDTP10056 7.41  LDD2018 
Protein LYRIC (MTDH) LDTP08224 7.73  LDD2018 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.16  LDD2018 
Protein YIF1A (YIF1A) LDTP01494 5.17  LDD2018 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 8.51  LDD2018 
Reticulon-3 (RTN3) LDTP01522 8.82  LDD2018 
Reticulon-4 (RTN4) LDTP12412 6.11  LDD2018 
Reticulophagy regulator 2 (RETREG2) LDTP09080 5.21  LDD2018 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 5.46  LDD2018 
Synaptogyrin-2 (SYNGR2) LDTP00859 6.87  LDD2018 
Syntaxin-10 (STX10) LDTP00986 5.21  LDD2018 
Syntaxin-18 (STX18) LDTP13086 5.90  LDD2018 
Tetraspanin-6 (TSPAN6) LDTP14458 8.88  LDD2018 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 5.50  LDD2018 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 7.89  LDD2018 
TraB domain-containing protein (TRABD) LDTP19963 6.92  LDD2018 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 19.70  LDD2018 
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⏷ Show the Full List of 40 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
 LDD2018 
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