Details of the Probe

General Information of Probe

Probe ID
LDPC0616
Probe Name
C397
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 376.395
Lipid-water partition coefficient (xlogp) 3.8296
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H17FN6O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3nnc(-c4c([H])c([H])c(F)c([H])c4[H])n3c2[H])N=N1
InChI
InChI=1S/C20H17FN6O/c1-2-3-11-20(25-26-20)12-10-18(28)22-16-8-9-17-23-24-19(27(17)13-16)14-4-6-15(21)7-5-14/h1,4-9,13H,3,10-12H2,(H,22,28)
InChIKey
MURJQVDUKJKQHR-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

30 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine deaminase (ADA) LDTP01803 13.55  LDD2056 
Alanine aminotransferase 2 (GPT2) LDTP09416 9.92  LDD2056 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 18.00  LDD2056 
Biliverdin reductase A (BLVRA) LDTP04552 12.21  LDD2056 
CDGSH iron-sulfur domain-containing protein 1 (CISD1) LDTP12873 11.88  LDD2056 
Creatine kinase B-type (CKB) LDTP02616 9.71  LDD2056 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 10.48  LDD2056 
Cytochrome b5 type B (CYB5B) LDTP00697 10.78  LDD2056 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 11.63  LDD2056 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 9.58  LDD2056 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 26.91  LDD2056 
DNA-directed RNA polymerase II subunit RPB4 (POLR2D) LDTP00659 13.83  LDD2056 
E3 ubiquitin-protein ligase NEDD4 (NEDD4) LDTP04114 15.35  LDD2056 
Epoxide hydrolase 1 (EPHX1) LDTP02175 12.82  LDD2056 
Glycosyltransferase 8 domain-containing protein 1 (GLT8D1) LDTP17305 9.92  LDD2056 
Heme oxygenase 1 (HMOX1) LDTP02359 9.51  LDD2056 
Heme oxygenase 2 (HMOX2) LDTP03540 12.13  LDD2056 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 9.45  LDD2056 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 15.67  LDD2056 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 13.36  LDD2056 
Nuclease EXOG, mitochondrial (EXOG) LDTP13846 56.49  LDD2056 
Oxygen-dependent coproporphyrinogen-III oxidase, mitochondrial (CPOX) LDTP03813 9.51  LDD2056 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 10.27  LDD2056 
Ras-related protein Rab-24 (RAB24) LDTP10020 14.22  LDD2056 
Rho-associated protein kinase 1 (ROCK1) LDTP05881 9.85  LDD2056 
RNA polymerase II subunit A C-terminal domain phosphatase SSU72 (SSU72) LDTP12315 10.41  LDD2056 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 9.78  LDD2056 
Translin (TSN) LDTP06427 14.03  LDD2056 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 21.56  LDD2056 
UDP-glucuronic acid decarboxylase 1 (UXS1) LDTP09074 9.92  LDD2056 
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⏷ Show the Full List of 30 Enzyme
17 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 17.27  LDD2056 
BRI3-binding protein (BRI3BP) LDTP15648 11.71  LDD2056 
Metaxin-1 (MTX1) LDTP05900 10.70  LDD2056 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 11.31  LDD2056 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 19.84  LDD2056 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 69.07  LDD2056 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.34  LDD2056 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 22.94  LDD2056 
Protein GPR108 (GPR108) LDTP12383 14.12  LDD2056 
Protein tweety homolog 3 (TTYH3) LDTP11615 11.88  LDD2056 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 11.08  LDD2056 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 16.91  LDD2056 
SUN domain-containing protein 2 (SUN2) LDTP13256 10.13  LDD2056 
Target of Myb1 membrane trafficking protein (TOM1) LDTP01051 10.20  LDD2056 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 11.16  LDD2056 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 13.45  LDD2056 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.92  LDD2056 
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⏷ Show the Full List of 17 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Transcription factor A, mitochondrial (TFAM) LDTP05235 11.63  LDD2056 
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27 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
c-Myc-binding protein (MYCBP) LDTP10857 10.06  LDD2056 
Calumenin (CALU) LDTP00887 12.04  LDD2056 
Conserved oligomeric Golgi complex subunit 4 (COG4) LDTP12094 10.20  LDD2056 
Diablo IAP-binding mitochondrial protein (DIABLO) LDTP12468 11.39  LDD2056 
DNA replication complex GINS protein SLD5 (GINS4) LDTP11134 10.34  LDD2056 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 15.45  LDD2056 
Kinetochore protein Spc24 (SPC24) LDTP09069 10.34  LDD2056 
Liprin-alpha-1 (PPFIA1) LDTP05763 9.92  LDD2056 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 13.36  LDD2056 
Negative elongation factor C/D (NELFCD) LDTP08594 10.63  LDD2056 
Nucleobindin-2 (NUCB2) LDTP05160 13.74  LDD2056 
Peroxisomal targeting signal 1 receptor (PEX5) LDTP04369 9.58  LDD2056 
Pre-mRNA-splicing factor SPF27 (BCAS2) LDTP01358 9.51  LDD2056 
Prefoldin subunit 6 (PFDN6) LDTP00573 10.48  LDD2056 
Progesterone-induced-blocking factor 1 (PIBF1) LDTP09719 10.06  LDD2056 
Protein CutA (CUTA) LDTP01075 24.93  LDD2056 
Protein FAM114A2 (FAM114A2) LDTP16080 10.27  LDD2056 
Protein FAM162A (FAM162A) LDTP10056 11.47  LDD2056 
Protein FAM98B (FAM98B) LDTP06879 9.58  LDD2056 
Reticulocalbin-2 (RCN2) LDTP06097 10.56  LDD2056 
Stathmin (STMN1) LDTP02869 11.16  LDD2056 
Syntaxin-10 (STX10) LDTP00986 14.93  LDD2056 
Syntaxin-18 (STX18) LDTP13086 14.22  LDD2056 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 9.51  LDD2056 
U2 small nuclear ribonucleoprotein B'' (SNRPB2) LDTP02285 10.70  LDD2056 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 10.63  LDD2056 
Vimentin (VIM) LDTP02297 9.71  LDD2056 
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⏷ Show the Full List of 27 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
 LDD2056 
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