Details of the Probe

General Information of Probe

Probe ID
LDPC0645
Probe Name
C430
Synonyms
Z4225951501
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.5
Lipid-water partition coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H24N6O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(oxan-4-yl)-1-pyridin-3-ylpyrazole-4-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=CN(N=C2C3CCOCC3)C4=CN=CC=C4
InChI
InChI=1S/C21H24N6O2/c1-2-3-8-21(25-26-21)9-11-23-20(28)18-15-27(17-5-4-10-22-14-17)24-19(18)16-6-12-29-13-7-16/h1,4-5,10,14-16H,3,6-9,11-13H2,(H,23,28)
InChIKey
JEYNOGKDFSTITG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

45 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.70  LDD2085 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.78  LDD2085 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 5.94  LDD2085 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 5.78  LDD2085 
Adenosine deaminase (ADA) LDTP01803 25.28  LDD2085 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 24.93  LDD2085 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 7.21  LDD2085 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 7.16  LDD2085 
ATP-binding cassette sub-family C member 4 (ABCC4) LDTP00639 5.66  LDD2085 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 5.35  LDD2085 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.59  LDD2085 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 5.70  LDD2085 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 5.28  LDD2085 
Cytochrome b5 type B (CYB5B) LDTP00697 5.06  LDD2085 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 17.75  LDD2085 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.78  LDD2085 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.50  LDD2085 
Deoxyhypusine hydroxylase (DOHH) LDTP11225 9.19  LDD2085 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.35  LDD2085 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.78  LDD2085 
Epoxide hydrolase 1 (EPHX1) LDTP02175 17.75  LDD2085 
Heme oxygenase 2 (HMOX2) LDTP03540 10.34  LDD2085 
Hexokinase-2 (HK2) LDTP04531 6.41  LDD2085 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.82  LDD2085 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 7.46  LDD2085 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 23.92  LDD2085 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 13.93  LDD2085 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 5.90  LDD2085 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.74  LDD2085 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.86  LDD2085 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 7.21  LDD2085 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 9.92  LDD2085 
Oligoribonuclease, mitochondrial (REXO2) LDTP13972 10.06  LDD2085 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 14.62  LDD2085 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 5.21  LDD2085 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.02  LDD2085 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 10.27  LDD2085 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 5.21  LDD2085 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.78  LDD2085 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 8.46  LDD2085 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 8.88  LDD2085 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 9.99  LDD2085 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 11.55  LDD2085 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 12.38  LDD2085 
Sphingolipid delta(4)-desaturase DES1 (DEGS1) LDTP00544 7.36  LDD2085 
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⏷ Show the Full List of 45 Enzyme
27 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 6.87  LDD2085 
Essential MCU regulator, mitochondrial (SMDT1) LDTP11927 8.57  LDD2085 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 6.68  LDD2085 
Metaxin-1 (MTX1) LDTP05900 8.34  LDD2085 
Metaxin-3 (MTX3) LDTP14970 12.82  LDD2085 
MFS-type transporter SLC18B1 (SLC18B1) LDTP07462 6.02  LDD2085 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.63  LDD2085 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 5.94  LDD2085 
Mitochondrial import inner membrane translocase subunit Tim10 (TIMM10) LDTP04956 8.22  LDD2085 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 38.85  LDD2085 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 29.86  LDD2085 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 23.43  LDD2085 
Mpv17-like protein 2 (MPV17L2) LDTP14952 8.00  LDD2085 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 7.84  LDD2085 
Protein GPR107 (GPR107) LDTP07236 14.62  LDD2085 
Protein GPR108 (GPR108) LDTP12383 8.57  LDD2085 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.54  LDD2085 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 10.13  LDD2085 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 4.92  LDD2085 
Surfeit locus protein 4 (SURF4) LDTP00592 5.62  LDD2085 
Translocator protein (TSPO) LDTP03546 5.90  LDD2085 
Transmembrane 9 superfamily member 2 (TM9SF2) LDTP15845 6.19  LDD2085 
Transmembrane protein 126A (TMEM126A) LDTP15948 4.99  LDD2085 
Transmembrane protein 199 (TMEM199) LDTP08881 5.06  LDD2085 
Transmembrane protein 205 (TMEM205) LDTP07667 7.73  LDD2085 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 9.19  LDD2085 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.28  LDD2085 
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⏷ Show the Full List of 27 Transporter and channel
25 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.03  LDD2085 
Calumenin (CALU) LDTP00887 4.96  LDD2085 
Centrosomal protein 43 (CEP43) LDTP01652 5.86  LDD2085 
Clustered mitochondria protein homolog (CLUH) LDTP14486 5.66  LDD2085 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 5.46  LDD2085 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 5.98  LDD2085 
DDRGK domain-containing protein 1 (DDRGK1) LDTP10403 5.03  LDD2085 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 6.73  LDD2085 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 8.82  LDD2085 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 13.00  LDD2085 
Large ribosomal subunit protein mL55 (MRPL55) LDTP15269 33.59  LDD2085 
Mdm2-binding protein (MTBP) LDTP15714 5.58  LDD2085 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 7.89  LDD2085 
Negative elongation factor C/D (NELFCD) LDTP08594 5.17  LDD2085 
Neudesin (NENF) LDTP13630 9.00  LDD2085 
Neuferricin (CYB5D2) LDTP15623 40.22  LDD2085 
Nuclear cap-binding protein subunit 3 (NCBP3) LDTP06887 5.03  LDD2085 
Nuclear transport factor 2 (NUTF2) LDTP04951 7.78  LDD2085 
Nucleobindin-1 (NUCB1) LDTP05375 5.17  LDD2085 
Nucleobindin-2 (NUCB2) LDTP05160 11.08  LDD2085 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.71  LDD2085 
Reticulocalbin-2 (RCN2) LDTP06097 7.84  LDD2085 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 6.28  LDD2085 
TraB domain-containing protein (TRABD) LDTP19963 4.96  LDD2085 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.35  LDD2085 
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⏷ Show the Full List of 25 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
 LDD2085 
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