Details of the Probe

General Information of Probe

Probe ID
LDPC0137
Probe Name
P11
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 213.284
Lipid-water partition coefficient (xlogp) 1.2803
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H15N3
Canonical SMILES
C#CCn1cc(CCNN)c2ccccc21
InChI
InChI=1S/C13H15N3/c1-2-9-16-10-11(7-8-15-14)12-5-3-4-6-13(12)16/h1,3-6,10,15H,7-9,14H2
InChIKey
SBIXFIJTPQDCNM-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

67 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-hydroxyacyl-CoA lyase 1 (HACL1) LDTP13375 20.00  LDD0201 
26S proteasome non-ATPase regulatory subunit 14 (PSMD14) LDTP00294 6.61  LDD0201 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 20.00  LDD0201 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 14.83  LDD0201 
5'-nucleotidase domain-containing protein 2 (NT5DC2) LDTP18414 12.66  LDD0201 
Acyl-CoA (8-3)-desaturase (FADS1) LDTP00968 20.00  LDD0201 
Acyl-CoA 6-desaturase (FADS2) LDTP01699 12.38  LDD0201 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 16.52  LDD0201 
Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 8.20  LDD0201 
Alpha-galactosidase A (GLA) LDTP02141 17.91  LDD0201 
Amine oxidase [flavin-containing] A (MAOA) LDTP03109 20.00  LDD0201 
Amine oxidase [flavin-containing] B (MAOB) LDTP03384 20.00  LDD0201 
ATP-dependent 6-phosphofructokinase, muscle type (PFKM) LDTP02261 1.08  LDD0210 
Beta-galactosidase (GLB1) LDTP02837 20.00  LDD0201 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 20.00  LDD0201 
Cathepsin D (CTSD) LDTP02198 20.00  LDD0201 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 11.67  LDD0201 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 11.55  LDD0201 
Cystathionine gamma-lyase (CTH) LDTP03656 12.43  LDD0201 
Cytochrome b5 type B (CYB5B) LDTP00697 2.63  LDD0210 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 20.00  LDD0201 
Dihydrofolate reductase (DHFR) LDTP01769 20.00  LDD0201 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 15.65  LDD0201 
DNA (cytosine-5)-methyltransferase 1 (DNMT1) LDTP03350 10.81  LDD0201 
E3 ubiquitin-protein ligase MARCHF5 (MARCHF5) LDTP12757 12.21  LDD0201 
E3 ubiquitin-protein ligase Midline-1 (MID1) LDTP00611 12.45  LDD0201 
E3 ubiquitin-protein ligase RING2 (RNF2) LDTP10877 11.55  LDD0201 
E3 ubiquitin-protein ligase UHRF1 (UHRF1) LDTP10845 6.33  LDD0201 
Ethanolamine kinase 1 (ETNK1) LDTP12197 20.00  LDD0201 
FAST kinase domain-containing protein 5, mitochondrial (FASTKD5) LDTP07979 20.00  LDD0201 
Ferrochelatase, mitochondrial (FECH) LDTP03198 20.00  LDD0201 
Flavin reductase (NADPH) (BLVRB) LDTP03511 20.00  LDD0201 
Gamma-glutamyl hydrolase (GGH) LDTP09886 20.00  LDD0201 
Gamma-interferon-inducible lysosomal thiol reductase (IFI30) LDTP02651 20.00  LDD0201 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 1.31  LDD0210 
Helicase-like transcription factor (HLTF) LDTP06139 12.14  LDD0201 
Histone-lysine N-methyltransferase 2C (KMT2C) LDTP09186 20.00  LDD0201 
Histone-lysine N-methyltransferase 2D (KMT2D) LDTP00408 20.00  LDD0201 
Histone-lysine N-methyltransferase NSD2 (NSD2) LDTP01759 20.00  LDD0201 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 20.00  LDD0201 
Lysine-specific demethylase 3B (KDM3B) LDTP07982 11.60  LDD0201 
Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 20.00  LDD0201 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 19.58  LDD0201 
Lysosomal protective protein (CTSA) LDTP02505 20.00  LDD0201 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 20.00  LDD0201 
NAD kinase 2, mitochondrial (NADK2) LDTP06839 12.09  LDD0201 
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (NDUFS1) LDTP03433 7.16  LDD0201 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 20.00  LDD0201 
Peptidyl-tRNA hydrolase 2, mitochondrial (PTRH2) LDTP13989 11.51  LDD0201 
Phosphatidylserine synthase 1 (PTDSS1) LDTP04203 20.00  LDD0201 
Pro-cathepsin H (CTSH) LDTP02366 20.00  LDD0201 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 20.00  LDD0201 
Proteasome subunit beta type-7 (PSMB7) LDTP10862 14.63  LDD0201 
Putative transferase CAF17, mitochondrial (IBA57) LDTP07110 15.86  LDD0201 
Pyrroline-5-carboxylate reductase 2 (PYCR2) LDTP10159 1.28  LDD0210 
Regulator of nonsense transcripts 1 (UPF1) LDTP09921 20.00  LDD0201 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 20.00  LDD0201 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 17.93  LDD0201 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 11.72  LDD0201 
Secernin-2 (SCRN2) LDTP15725 11.87  LDD0201 
Secernin-3 (SCRN3) LDTP17022 1.92  LDD0211 
Sterol carrier protein 2 (SCP2) LDTP03163 18.96  LDD0201 
Thiol S-methyltransferase TMT1A (TMT1A) LDTP12056 20.00  LDD0201 
Threonine--tRNA ligase, mitochondrial (TARS2) LDTP11319 7.98  LDD0201 
Transcription intermediary factor 1-beta (TRIM28) LDTP05808 15.09  LDD0201 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 20.00  LDD0201 
Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (HACD3) LDTP12954 1.06  LDD0210 
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⏷ Show the Full List of 67 Enzyme
14 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 11.80  LDD0201 
H(+)/Cl(-) exchange transporter 7 (CLCN7) LDTP04463 20.00  LDD0201 
High affinity copper uptake protein 1 (SLC31A1) LDTP00636 20.00  LDD0201 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 20.00  LDD0201 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 14.68  LDD0201 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 11.78  LDD0201 
Nuclear pore complex protein Nup160 (NUP160) LDTP05642 10.50  LDD0201 
Prolactin regulatory element-binding protein (PREB) LDTP12272 20.00  LDD0201 
Prosaposin (PSAP) LDTP02215 20.00  LDD0201 
Signal recognition particle 14 kDa protein (SRP14) LDTP03837 1.25  LDD0210 
Solute carrier family 49 member 4 (SLC49A4) LDTP10816 20.00  LDD0201 
Transferrin receptor protein 1 (TFRC) LDTP01969 6.74  LDD0201 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.48  LDD0201 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 5.23  LDD0201 
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⏷ Show the Full List of 14 Transporter and channel
3 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Nascent polypeptide-associated complex subunit alpha, muscle-specific form (NACA) LDTP14411 5.69  LDD0201 
Paraspeckle component 1 (PSPC1) LDTP09694 20.00  LDD0201 
PHD finger-like domain-containing protein 5A (PHF5A) LDTP08006 20.00  LDD0201 
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1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basigin (BSG) LDTP03772 15.98  LDD0201 
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25 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
BAG family molecular chaperone regulator 5 (BAG5) LDTP13507 20.00  LDD0201 
BCAS3 microtubule associated cell migration factor (BCAS3) LDTP12001 20.00  LDD0201 
BRCA1-associated ATM activator 1 (BRAT1) LDTP07598 1.11  LDD0210 
Cell cycle and apoptosis regulator protein 2 (CCAR2) LDTP08760 11.25  LDD0201 
Coatomer subunit beta' (COPB2) LDTP03767 10.41  LDD0201 
Cytoskeleton-associated protein 5 (CKAP5) LDTP06021 0.97  LDD0210 
Four and a half LIM domains protein 1 (FHL1) LDTP05961 12.72  LDD0201 
Fragile X messenger ribonucleoprotein 1 (FMR1) LDTP05501 11.42  LDD0201 
GPI transamidase component PIG-S (PIGS) LDTP10799 20.00  LDD0201 
Heterogeneous nuclear ribonucleoprotein H3 (HNRNPH3) LDTP03614 1.28  LDD0211 
Host cell factor 1 (HCFC1) LDTP04434 5.49  LDD0201 
Nascent polypeptide-associated complex subunit alpha (NACA) LDTP05977 5.69  LDD0201 
Neudesin (NENF) LDTP13630 15.60  LDD0201 
Non-histone chromosomal protein HMG-17 (HMGN2) LDTP02102 5.24  LDD0201 
Nucleolar protein 11 (NOL11) LDTP16017 10.30  LDD0201 
Paired amphipathic helix protein Sin3a (SIN3A) LDTP10823 20.00  LDD0201 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 1.12  LDD0210 
RNA-binding protein FXR1 (FXR1) LDTP04395 20.00  LDD0201 
Scaffold attachment factor B1 (SAFB) LDTP06385 7.68  LDD0201 
Sequestosome-1 (SQSTM1) LDTP05898 20.00  LDD0201 
Small ribosomal subunit protein mS25 (MRPS25) LDTP14787 20.00  LDD0201 
Spartin (SPART) LDTP08735 1.46  LDD0210 
Suppressor of SWI4 1 homolog (PPAN) LDTP12396 20.00  LDD0201 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 20.00  LDD0201 
Zinc finger CCCH domain-containing protein 14 (ZC3H14) LDTP07602 14.36  LDD0201 
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⏷ Show the Full List of 25 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0088  C45 1 uM Human normal cell lysate (HEK-293T) [1]
 LDCM0089  C30 1 uM Human normal cell lysate (HEK-293T) [1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
0.1 mM
Quantitative Method
SILAC
Competitor Name
C45
 Competitor Info 
Competitor Concentration
0.1 mM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Interaction Atlas ID
 LDD0201 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
1 uM
Quantitative Method
SILAC
Competitor Name
C30
 Competitor Info 
Competitor Concentration
1 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cell lysate (HEK-293T)
Interaction Atlas ID
 LDD0210 
Download The Altas
  
Experiment 3 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
1 uM
Quantitative Method
SILAC
Competitor Name
C45
 Competitor Info 
Competitor Concentration
1 uM
In Vitro Experiment Model
Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cell lysate (HEK-293T)
Interaction Atlas ID
 LDD0211 
Download The Altas

References

1 Discovery of Potent and Selective Inhibitors against Protein-Derived Electrophilic Cofactors. J Am Chem Soc. 2022 Mar 30;144(12):5377-5388. doi: 10.1021/jacs.1c12748. Epub 2022 Mar 2.