Details of the Probe

General Information of Probe

Probe ID
LDPC0311
Probe Name
C053
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 350.249
Lipid-water partition coefficient (xlogp) 4.2338
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H17Cl2N3O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c(Cl)c(Cl)c([H])c([H])c3C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C17H17Cl2N3O/c1-2-3-8-17(20-21-17)9-6-15(23)22-10-7-12-4-5-14(18)16(19)13(12)11-22/h1,4-5H,3,6-11H2
InChIKey
CVKJHUYADURYJR-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

50 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-dependent glucokinase (ADPGK) LDTP11127 5.86  LDD1751 
ADP-ribose pyrophosphatase, mitochondrial (NUDT9) LDTP11318 5.06  LDD1751 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 4.99  LDD1751 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 5.58  LDD1751 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 6.87  LDD1751 
Catechol O-methyltransferase (COMT) LDTP03145 4.99  LDD1751 
Ceramide synthase 2 (CERS2) LDTP10329 5.03  LDD1751 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 11.16  LDD1751 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 13.09  LDD1751 
Cytochrome b5 type B (CYB5B) LDTP00697 17.03  LDD1751 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 7.31  LDD1751 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.39  LDD1751 
Delta(24)-sterol reductase (DHCR24) LDTP06375 4.92  LDD1751 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 5.90  LDD1751 
DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 14.72  LDD1751 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.06  LDD1751 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 7.01  LDD1751 
Glycerophosphodiester phosphodiesterase 1 (GDE1) LDTP12886 6.63  LDD1751 
GPI ethanolamine phosphate transferase 2 (PIGG) LDTP06977 5.21  LDD1751 
Heme oxygenase 1 (HMOX1) LDTP02359 11.96  LDD1751 
Heme oxygenase 2 (HMOX2) LDTP03540 13.45  LDD1751 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 8.69  LDD1751 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 9.00  LDD1751 
Lysosomal alpha-glucosidase (GAA) LDTP02486 5.78  LDD1751 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.31  LDD1751 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 8.40  LDD1751 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 7.26  LDD1751 
Minor histocompatibility antigen H13 (HM13) LDTP09396 5.31  LDD1751 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 12.04  LDD1751 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 9.51  LDD1751 
NAD-capped RNA hydrolase NUDT12 (NUDT12) LDTP11081 5.13  LDD1751 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 5.24  LDD1751 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 14.62  LDD1751 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.71  LDD1751 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 5.62  LDD1751 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.35  LDD1751 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 6.50  LDD1751 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.22  LDD1751 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 7.78  LDD1751 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 5.28  LDD1751 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.50  LDD1751 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 5.98  LDD1751 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 6.54  LDD1751 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 7.52  LDD1751 
Retinol dehydrogenase 13 (RDH13) LDTP09061 5.10  LDD1751 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 7.46  LDD1751 
Titin (TTN) LDTP09749 14.93  LDD1751 
TLC domain-containing protein 1 (TLCD1) LDTP10182 5.03  LDD1751 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 8.94  LDD1751 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 4.96  LDD1751 
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⏷ Show the Full List of 50 Enzyme
39 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
45 kDa calcium-binding protein (SDF4) LDTP11116 4.92  LDD1751 
ATP synthase F(0) complex subunit B1, mitochondrial (ATP5PB) LDTP03284 6.15  LDD1751 
BRI3-binding protein (BRI3BP) LDTP15648 9.13  LDD1751 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 6.73  LDD1751 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 15.45  LDD1751 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 6.19  LDD1751 
Derlin-1 (DERL1) LDTP11245 5.66  LDD1751 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 13.55  LDD1751 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 8.40  LDD1751 
Golgi SNAP receptor complex member 1 (GOSR1) LDTP01542 5.10  LDD1751 
Guided entry of tail-anchored proteins factor CAMLG (CAMLG) LDTP04227 6.06  LDD1751 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.17  LDD1751 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.46  LDD1751 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 7.01  LDD1751 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 7.01  LDD1751 
Metal cation symporter ZIP14 (SLC39A14) LDTP06293 5.78  LDD1751 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 5.74  LDD1751 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 5.98  LDD1751 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 6.87  LDD1751 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 10.70  LDD1751 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 11.08  LDD1751 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 8.11  LDD1751 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 7.52  LDD1751 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 4.92  LDD1751 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.06  LDD1751 
Prosaposin (PSAP) LDTP02215 8.22  LDD1751 
Protein ERGIC-53 (LMAN1) LDTP04237 7.57  LDD1751 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 6.45  LDD1751 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 23.10  LDD1751 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 6.28  LDD1751 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 6.06  LDD1751 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 12.55  LDD1751 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.39  LDD1751 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 6.68  LDD1751 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.36  LDD1751 
Transmembrane protein 199 (TMEM199) LDTP08881 9.38  LDD1751 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 7.78  LDD1751 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.87  LDD1751 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.35  LDD1751 
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⏷ Show the Full List of 39 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
DnaJ homolog subfamily C member 1 (DNAJC1) LDTP10501 5.06  LDD1751 
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42 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-ribosylation factor-like protein 6-interacting protein 1 (ARL6IP1) LDTP06291 6.59  LDD1751 
Apolipoprotein L2 (APOL2) LDTP11076 14.52  LDD1751 
Calmodulin-3 (CALM3) LDTP02443 8.57  LDD1751 
Centrin-2 (CETN2) LDTP03926 15.67  LDD1751 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 7.62  LDD1751 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 15.45  LDD1751 
DNA replication complex GINS protein PSF2 (GINS2) LDTP13802 6.41  LDD1751 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 6.73  LDD1751 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 7.11  LDD1751 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 17.27  LDD1751 
Ganglioside GM2 activator (GM2A) LDTP02927 6.28  LDD1751 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 5.74  LDD1751 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 6.87  LDD1751 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.57  LDD1751 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 9.13  LDD1751 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 19.56  LDD1751 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 16.11  LDD1751 
Mitochondrial import receptor subunit TOM6 homolog (TOMM6) LDTP10113 9.85  LDD1751 
Negative elongation factor C/D (NELFCD) LDTP08594 5.70  LDD1751 
Neurofilament medium polypeptide (NEFM) LDTP02181 5.50  LDD1751 
Nucleobindin-1 (NUCB1) LDTP05375 10.56  LDD1751 
Nucleobindin-2 (NUCB2) LDTP05160 22.47  LDD1751 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 10.41  LDD1751 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 8.69  LDD1751 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 5.10  LDD1751 
Optic atrophy 3 protein (OPA3) LDTP16006 4.96  LDD1751 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 14.42  LDD1751 
Protein FAM162A (FAM162A) LDTP10056 7.94  LDD1751 
Protein FAM177A1 (FAM177A1) LDTP15398 6.68  LDD1751 
Protein jagunal homolog 1 (JAGN1) LDTP08904 5.86  LDD1751 
Protein SET (SET) LDTP05277 5.58  LDD1751 
Protein YIF1A (YIF1A) LDTP01494 6.06  LDD1751 
Reticulocalbin-2 (RCN2) LDTP06097 8.11  LDD1751 
Reticulon-3 (RTN3) LDTP01522 6.73  LDD1751 
Reticulon-4 (RTN4) LDTP12412 10.56  LDD1751 
Synaptogyrin-2 (SYNGR2) LDTP00859 5.90  LDD1751 
Syntaxin-18 (STX18) LDTP13086 6.96  LDD1751 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 7.31  LDD1751 
TraB domain-containing protein (TRABD) LDTP19963 5.50  LDD1751 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 5.35  LDD1751 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 13.45  LDD1751 
Vimentin (VIM) LDTP02297 6.87  LDD1751 
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⏷ Show the Full List of 42 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
 LDD1751 
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