Details of the Probe

General Information of Probe

Probe ID
LDPC0446
Probe Name
C212
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 299.378
Lipid-water partition coefficient (xlogp) 2.4758
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H21N5O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])nc3n2C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])N=N1
InChI
InChI=1S/C16H21N5O/c1-3-4-8-16(19-20-16)9-10-17-15(22)13-11-18-14-7-5-6-12(2)21(13)14/h1,11-12H,4-10H2,2H3,(H,17,22)/t12-/m0/s1
InChIKey
FTVAWZKOCXEPFN-LBPRGKRZSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

76 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 5.28  LDD1886 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 5.28  LDD1886 
Adenosine deaminase (ADA) LDTP01803 29.04  LDD1886 
Adenosine deaminase (ADA) LDTP01803 29.04  LDD1886 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.46  LDD1886 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.46  LDD1886 
Calcium/calmodulin-dependent protein kinase type II subunit gamma (CAMK2G) LDTP05920 8.94  LDD1886 
Calcium/calmodulin-dependent protein kinase type II subunit gamma (CAMK2G) LDTP05920 8.94  LDD1886 
Ceramide synthase 2 (CERS2) LDTP10329 7.26  LDD1886 
Ceramide synthase 2 (CERS2) LDTP10329 7.26  LDD1886 
Choline kinase alpha (CHKA) LDTP03787 14.03  LDD1886 
Choline kinase alpha (CHKA) LDTP03787 14.03  LDD1886 
DCN1-like protein 4 (DCUN1D4) LDTP09799 16.56  LDD1886 
DCN1-like protein 4 (DCUN1D4) LDTP09799 16.56  LDD1886 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 6.32  LDD1886 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 6.32  LDD1886 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 5.62  LDD1886 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 5.62  LDD1886 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.11  LDD1886 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.11  LDD1886 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 6.28  LDD1886 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 6.28  LDD1886 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.90  LDD1886 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 5.90  LDD1886 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.31  LDD1886 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.31  LDD1886 
Ferrochelatase, mitochondrial (FECH) LDTP03198 15.45  LDD1886 
Ferrochelatase, mitochondrial (FECH) LDTP03198 15.45  LDD1886 
Glutathione S-transferase A4 (GSTA4) LDTP00575 5.43  LDD1886 
Glutathione S-transferase A4 (GSTA4) LDTP00575 5.43  LDD1886 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 6.77  LDD1886 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 6.77  LDD1886 
Heme oxygenase 2 (HMOX2) LDTP03540 10.48  LDD1886 
Heme oxygenase 2 (HMOX2) LDTP03540 10.48  LDD1886 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.54  LDD1886 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 5.54  LDD1886 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.66  LDD1886 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 5.66  LDD1886 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.46  LDD1886 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.46  LDD1886 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 5.78  LDD1886 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 5.78  LDD1886 
Methionine aminopeptidase 1 (METAP1) LDTP04565 8.34  LDD1886 
Methionine aminopeptidase 1 (METAP1) LDTP04565 8.34  LDD1886 
Multidrug resistance-associated protein 1 (ABCC1) LDTP03671 7.01  LDD1886 
Multidrug resistance-associated protein 1 (ABCC1) LDTP03671 7.01  LDD1886 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 6.41  LDD1886 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 6.41  LDD1886 
NADH dehydrogenase 1 alpha subcomplex subunit 7 (NDUFA7) LDTP01518 8.94  LDD1886 
NADH dehydrogenase 1 alpha subcomplex subunit 7 (NDUFA7) LDTP01518 8.94  LDD1886 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.43  LDD1886 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 5.43  LDD1886 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 7.67  LDD1886 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 7.67  LDD1886 
Prenylcysteine oxidase-like (PCYOX1L) LDTP15480 5.46  LDD1886 
Prenylcysteine oxidase-like (PCYOX1L) LDTP15480 5.46  LDD1886 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 6.02  LDD1886 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 6.02  LDD1886 
Prostaglandin reductase 3 (PTGR3) LDTP15422 8.34  LDD1886 
Prostaglandin reductase 3 (PTGR3) LDTP15422 8.34  LDD1886 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.73  LDD1886 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.73  LDD1886 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.32  LDD1886 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.32  LDD1886 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.23  LDD1886 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 6.23  LDD1886 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 31.12  LDD1886 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 31.12  LDD1886 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 15.45  LDD1886 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 15.45  LDD1886 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 9.58  LDD1886 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 9.58  LDD1886 
Thimet oligopeptidase (THOP1) LDTP04542 18.90  LDD1886 
Thimet oligopeptidase (THOP1) LDTP04542 18.90  LDD1886 
tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase (FTSJ1) LDTP13200 5.31  LDD1886 
tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase (FTSJ1) LDTP13200 5.31  LDD1886 
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⏷ Show the Full List of 76 Enzyme
44 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 8.17  LDD1886 
Amyloid-beta precursor protein (APP) LDTP02071 8.17  LDD1886 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 15.14  LDD1886 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 15.14  LDD1886 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.84  LDD1886 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.84  LDD1886 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 68.12  LDD1886 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 68.12  LDD1886 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.62  LDD1886 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.62  LDD1886 
Phosphatidylinositol transfer protein alpha isoform (PITPNA) LDTP05236 6.96  LDD1886 
Phosphatidylinositol transfer protein alpha isoform (PITPNA) LDTP05236 6.96  LDD1886 
Prosaposin (PSAP) LDTP02215 9.51  LDD1886 
Prosaposin (PSAP) LDTP02215 9.51  LDD1886 
Protein FAM8A1 (FAM8A1) LDTP16190 7.21  LDD1886 
Protein FAM8A1 (FAM8A1) LDTP16190 7.21  LDD1886 
Protein GPR107 (GPR107) LDTP07236 6.06  LDD1886 
Protein GPR107 (GPR107) LDTP07236 6.06  LDD1886 
Solute carrier family 2, facilitated glucose transporter member 1 (SLC2A1) LDTP02544 5.94  LDD1886 
Solute carrier family 2, facilitated glucose transporter member 1 (SLC2A1) LDTP02544 5.94  LDD1886 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.45  LDD1886 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.45  LDD1886 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 5.54  LDD1886 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 5.54  LDD1886 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.98  LDD1886 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.98  LDD1886 
SUN domain-containing protein 2 (SUN2) LDTP13256 6.11  LDD1886 
SUN domain-containing protein 2 (SUN2) LDTP13256 6.11  LDD1886 
Surfeit locus protein 4 (SURF4) LDTP00592 6.36  LDD1886 
Surfeit locus protein 4 (SURF4) LDTP00592 6.36  LDD1886 
Synaptojanin-2-binding protein (SYNJ2BP) LDTP04789 7.06  LDD1886 
Synaptojanin-2-binding protein (SYNJ2BP) LDTP04789 7.06  LDD1886 
Syntenin-1 (SDCBP) LDTP00310 5.50  LDD1886 
Syntenin-1 (SDCBP) LDTP00310 5.50  LDD1886 
Tetraspanin-3 (TSPAN3) LDTP16813 5.43  LDD1886 
Tetraspanin-3 (TSPAN3) LDTP16813 5.43  LDD1886 
Transmembrane protein 59 (TMEM59) LDTP11406 6.36  LDD1886 
Transmembrane protein 59 (TMEM59) LDTP11406 6.36  LDD1886 
Transmembrane protein 87A (TMEM87A) LDTP15481 5.46  LDD1886 
Transmembrane protein 87A (TMEM87A) LDTP15481 5.46  LDD1886 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.25  LDD1886 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.25  LDD1886 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.32  LDD1886 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.32  LDD1886 
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⏷ Show the Full List of 44 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Y-box-binding protein 1 (YBX1) LDTP05065 6.68  LDD1886 
Y-box-binding protein 1 (YBX1) LDTP05065 6.68  LDD1886 
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54 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.32  LDD1886 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.32  LDD1886 
Calmodulin-3 (CALM3) LDTP02443 6.19  LDD1886 
Calmodulin-3 (CALM3) LDTP02443 6.19  LDD1886 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.43  LDD1886 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.43  LDD1886 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 5.24  LDD1886 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 5.24  LDD1886 
Cytoplasmic dynein 2 intermediate chain 2 (DYNC2I2) LDTP10281 6.32  LDD1886 
Cytoplasmic dynein 2 intermediate chain 2 (DYNC2I2) LDTP10281 6.32  LDD1886 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 5.24  LDD1886 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 5.24  LDD1886 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 7.31  LDD1886 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 7.31  LDD1886 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 5.98  LDD1886 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 5.98  LDD1886 
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.06  LDD1886 
Large proline-rich protein BAG6 (BAG6) LDTP04094 8.06  LDD1886 
Large ribosomal subunit protein uL10m (MRPL10) LDTP08154 8.57  LDD1886 
Large ribosomal subunit protein uL10m (MRPL10) LDTP08154 8.57  LDD1886 
Leucine-rich repeat and WD repeat-containing protein 1 (LRWD1) LDTP13210 5.98  LDD1886 
Leucine-rich repeat and WD repeat-containing protein 1 (LRWD1) LDTP13210 5.98  LDD1886 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 9.51  LDD1886 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 9.51  LDD1886 
Microtubule nucleation factor SSNA1 (SSNA1) LDTP00871 5.24  LDD1886 
Microtubule nucleation factor SSNA1 (SSNA1) LDTP00871 5.24  LDD1886 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.23  LDD1886 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.23  LDD1886 
Neudesin (NENF) LDTP13630 10.13  LDD1886 
Neudesin (NENF) LDTP13630 10.13  LDD1886 
Neuferricin (CYB5D2) LDTP15623 14.32  LDD1886 
Neuferricin (CYB5D2) LDTP15623 14.32  LDD1886 
Nucleobindin-2 (NUCB2) LDTP05160 6.54  LDD1886 
Nucleobindin-2 (NUCB2) LDTP05160 6.54  LDD1886 
Protein CutA (CUTA) LDTP01075 7.67  LDD1886 
Protein CutA (CUTA) LDTP01075 7.67  LDD1886 
Protein unc-119 homolog B (UNC119B) LDTP00105 14.93  LDD1886 
Protein unc-119 homolog B (UNC119B) LDTP00105 14.93  LDD1886 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.17  LDD1886 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 5.17  LDD1886 
RNA-binding protein 3 (RBM3) LDTP05226 5.66  LDD1886 
RNA-binding protein 3 (RBM3) LDTP05226 5.66  LDD1886 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 7.11  LDD1886 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 7.11  LDD1886 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 5.58  LDD1886 
Tropomyosin alpha-1 chain (TPM1) LDTP02351 5.58  LDD1886 
Tubulin beta chain (TUBB) LDTP02205 5.62  LDD1886 
Tubulin beta chain (TUBB) LDTP02205 5.62  LDD1886 
Tubulin beta-2B chain (TUBB2B) LDTP11277 5.90  LDD1886 
Tubulin beta-2B chain (TUBB2B) LDTP11277 5.90  LDD1886 
UPF0449 protein C19orf25 (C19orf25) LDTP13214 5.17  LDD1886 
UPF0449 protein C19orf25 (C19orf25) LDTP13214 5.17  LDD1886 
Vimentin (VIM) LDTP02297 5.28  LDD1886 
Vimentin (VIM) LDTP02297 5.28  LDD1886 
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⏷ Show the Full List of 54 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
 LDD1886 
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