Details of the Probe

General Information of Probe

Probe ID
LDPC0310
Probe Name
C052
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 350.378
Lipid-water partition coefficient (xlogp) 2.9719
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H18N4O3
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2onc(-c3c([H])c([H])c4c(c3[H])C([H])([H])C([H])([H])O4)c2[H])N=N1
InChI
InChI=1S/C19H18N4O3/c1-2-3-7-19(22-23-19)8-9-20-18(24)17-12-15(21-26-17)13-4-5-16-14(11-13)6-10-25-16/h1,4-5,11-12H,3,6-10H2,(H,20,24)
InChIKey
MDODCJAOWNRIFM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

17 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Biliverdin reductase A (BLVRA) LDTP04552 5.94  LDD1750 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 7.11  LDD1750 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 7.84  LDD1750 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 6.45  LDD1750 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.03  LDD1750 
Heme oxygenase 1 (HMOX1) LDTP02359 4.92  LDD1750 
Heme oxygenase 2 (HMOX2) LDTP03540 7.89  LDD1750 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 7.11  LDD1750 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.94  LDD1750 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.70  LDD1750 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.24  LDD1750 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 5.94  LDD1750 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.00  LDD1750 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.02  LDD1750 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.13  LDD1750 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 5.82  LDD1750 
Squalene synthase (FDFT1) LDTP03842 7.57  LDD1750 
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⏷ Show the Full List of 17 Enzyme
17 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
45 kDa calcium-binding protein (SDF4) LDTP11116 5.70  LDD1750 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.90  LDD1750 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.51  LDD1750 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 5.86  LDD1750 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 13.93  LDD1750 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.35  LDD1750 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 4.92  LDD1750 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 5.43  LDD1750 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 9.06  LDD1750 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 10.41  LDD1750 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.28  LDD1750 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 6.23  LDD1750 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 8.28  LDD1750 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 9.99  LDD1750 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.17  LDD1750 
Transmembrane protein 199 (TMEM199) LDTP08881 10.93  LDD1750 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.15  LDD1750 
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⏷ Show the Full List of 17 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basigin (BSG) LDTP03772 4.92  LDD1750 
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33 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-2-macroglobulin receptor-associated protein (LRPAP1) LDTP03545 5.74  LDD1750 
Apolipoprotein L2 (APOL2) LDTP11076 9.38  LDD1750 
c-Myc-binding protein (MYCBP) LDTP10857 6.87  LDD1750 
Calumenin (CALU) LDTP00887 5.74  LDD1750 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.92  LDD1750 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 6.87  LDD1750 
ELKS/Rab6-interacting/CAST family member 1 (ERC1) LDTP08448 5.66  LDD1750 
Endothelial differentiation-related factor 1 (EDF1) LDTP01067 5.35  LDD1750 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.55  LDD1750 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 6.32  LDD1750 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.90  LDD1750 
Lamin-B1 (LMNB1) LDTP03065 5.10  LDD1750 
Lamin-B2 (LMNB2) LDTP05400 6.19  LDD1750 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.17  LDD1750 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 14.03  LDD1750 
MORF4 family-associated protein 1 (MRFAP1) LDTP14192 6.23  LDD1750 
Negative elongation factor C/D (NELFCD) LDTP08594 5.28  LDD1750 
Neurofilament medium polypeptide (NEFM) LDTP02181 6.28  LDD1750 
Nucleobindin-2 (NUCB2) LDTP05160 6.82  LDD1750 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.31  LDD1750 
Prelamin-A/C (LMNA) LDTP01932 5.66  LDD1750 
Programmed cell death protein 5 (PDCD5) LDTP00417 4.92  LDD1750 
Protein SET (SET) LDTP05277 5.10  LDD1750 
Reticulocalbin-1 (RCN1) LDTP06352 5.39  LDD1750 
Reticulocalbin-2 (RCN2) LDTP06097 5.35  LDD1750 
RNA-binding protein 10 (RBM10) LDTP05224 6.41  LDD1750 
Stathmin (STMN1) LDTP02869 8.17  LDD1750 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 11.96  LDD1750 
Tropomyosin alpha-4 chain (TPM4) LDTP05068 7.73  LDD1750 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 5.66  LDD1750 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.63  LDD1750 
Vimentin (VIM) LDTP02297 7.01  LDD1750 
YEATS domain-containing protein 4 (YEATS4) LDTP01638 5.24  LDD1750 
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⏷ Show the Full List of 33 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
 LDD1750 
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