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

34 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Biliverdin reductase A (BLVRA) LDTP04552 5.94  LDD1750 
Biliverdin reductase A (BLVRA) LDTP04552 5.94  LDD1750 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 7.11  LDD1750 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 7.11  LDD1750 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 7.84  LDD1750 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 7.84  LDD1750 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 6.45  LDD1750 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 6.45  LDD1750 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.03  LDD1750 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.03  LDD1750 
Heme oxygenase 1 (HMOX1) LDTP02359 4.92  LDD1750 
Heme oxygenase 1 (HMOX1) LDTP02359 4.92  LDD1750 
Heme oxygenase 2 (HMOX2) LDTP03540 7.89  LDD1750 
Heme oxygenase 2 (HMOX2) LDTP03540 7.89  LDD1750 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 7.11  LDD1750 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 7.11  LDD1750 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.94  LDD1750 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.94  LDD1750 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.70  LDD1750 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.70  LDD1750 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.24  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 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 5.94  LDD1750 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.00  LDD1750 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 11.00  LDD1750 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.02  LDD1750 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.02  LDD1750 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.13  LDD1750 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 5.13  LDD1750 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 5.82  LDD1750 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 5.82  LDD1750 
Squalene synthase (FDFT1) LDTP03842 7.57  LDD1750 
Squalene synthase (FDFT1) LDTP03842 7.57  LDD1750 
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⏷ Show the Full List of 34 Enzyme
34 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 
45 kDa calcium-binding protein (SDF4) LDTP11116 5.70  LDD1750 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.90  LDD1750 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 5.90  LDD1750 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.51  LDD1750 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.51  LDD1750 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 5.86  LDD1750 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 5.86  LDD1750 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 13.93  LDD1750 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 13.93  LDD1750 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.35  LDD1750 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.35  LDD1750 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 4.92  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 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-A (TIMM17A) LDTP10913 9.06  LDD1750 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 10.41  LDD1750 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 10.41  LDD1750 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.28  LDD1750 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 5.28  LDD1750 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 6.23  LDD1750 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 6.23  LDD1750 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 8.28  LDD1750 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 8.28  LDD1750 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 9.99  LDD1750 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 9.99  LDD1750 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.17  LDD1750 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.17  LDD1750 
Transmembrane protein 199 (TMEM199) LDTP08881 10.93  LDD1750 
Transmembrane protein 199 (TMEM199) LDTP08881 10.93  LDD1750 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.15  LDD1750 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.15  LDD1750 
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⏷ Show the Full List of 34 Transporter and channel
2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basigin (BSG) LDTP03772 4.92  LDD1750 
Basigin (BSG) LDTP03772 4.92  LDD1750 
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66 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 
Alpha-2-macroglobulin receptor-associated protein (LRPAP1) LDTP03545 5.74  LDD1750 
Apolipoprotein L2 (APOL2) LDTP11076 9.38  LDD1750 
Apolipoprotein L2 (APOL2) LDTP11076 9.38  LDD1750 
c-Myc-binding protein (MYCBP) LDTP10857 6.87  LDD1750 
c-Myc-binding protein (MYCBP) LDTP10857 6.87  LDD1750 
Calumenin (CALU) LDTP00887 5.74  LDD1750 
Calumenin (CALU) LDTP00887 5.74  LDD1750 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.92  LDD1750 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.92  LDD1750 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 6.87  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 
ELKS/Rab6-interacting/CAST family member 1 (ERC1) LDTP08448 5.66  LDD1750 
Endothelial differentiation-related factor 1 (EDF1) LDTP01067 5.35  LDD1750 
Endothelial differentiation-related factor 1 (EDF1) LDTP01067 5.35  LDD1750 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 12.55  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 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 6.32  LDD1750 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.90  LDD1750 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.90  LDD1750 
Lamin-B1 (LMNB1) LDTP03065 5.10  LDD1750 
Lamin-B1 (LMNB1) LDTP03065 5.10  LDD1750 
Lamin-B2 (LMNB2) LDTP05400 6.19  LDD1750 
Lamin-B2 (LMNB2) LDTP05400 6.19  LDD1750 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.17  LDD1750 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 5.17  LDD1750 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 14.03  LDD1750 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 14.03  LDD1750 
MORF4 family-associated protein 1 (MRFAP1) LDTP14192 6.23  LDD1750 
MORF4 family-associated protein 1 (MRFAP1) LDTP14192 6.23  LDD1750 
Negative elongation factor C/D (NELFCD) LDTP08594 5.28  LDD1750 
Negative elongation factor C/D (NELFCD) LDTP08594 5.28  LDD1750 
Neurofilament medium polypeptide (NEFM) LDTP02181 6.28  LDD1750 
Neurofilament medium polypeptide (NEFM) LDTP02181 6.28  LDD1750 
Nucleobindin-2 (NUCB2) LDTP05160 6.82  LDD1750 
Nucleobindin-2 (NUCB2) LDTP05160 6.82  LDD1750 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.31  LDD1750 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 5.31  LDD1750 
Prelamin-A/C (LMNA) LDTP01932 5.66  LDD1750 
Prelamin-A/C (LMNA) LDTP01932 5.66  LDD1750 
Programmed cell death protein 5 (PDCD5) LDTP00417 4.92  LDD1750 
Programmed cell death protein 5 (PDCD5) LDTP00417 4.92  LDD1750 
Protein SET (SET) LDTP05277 5.10  LDD1750 
Protein SET (SET) LDTP05277 5.10  LDD1750 
Reticulocalbin-1 (RCN1) LDTP06352 5.39  LDD1750 
Reticulocalbin-1 (RCN1) LDTP06352 5.39  LDD1750 
Reticulocalbin-2 (RCN2) LDTP06097 5.35  LDD1750 
Reticulocalbin-2 (RCN2) LDTP06097 5.35  LDD1750 
RNA-binding protein 10 (RBM10) LDTP05224 6.41  LDD1750 
RNA-binding protein 10 (RBM10) LDTP05224 6.41  LDD1750 
Stathmin (STMN1) LDTP02869 8.17  LDD1750 
Stathmin (STMN1) LDTP02869 8.17  LDD1750 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 11.96  LDD1750 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 11.96  LDD1750 
Tropomyosin alpha-4 chain (TPM4) LDTP05068 7.73  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 5 (UQCC5) LDTP15634 5.66  LDD1750 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.63  LDD1750 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.63  LDD1750 
Vimentin (VIM) LDTP02297 7.01  LDD1750 
Vimentin (VIM) LDTP02297 7.01  LDD1750 
YEATS domain-containing protein 4 (YEATS4) LDTP01638 5.24  LDD1750 
YEATS domain-containing protein 4 (YEATS4) LDTP01638 5.24  LDD1750 
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⏷ Show the Full List of 66 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