Details of the Probe

General Information of Probe

Probe ID
LDPC0271
Probe Name
C001
Synonyms
Z3410165847
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 365.5
Lipid-water partition coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H27N3O2
IUPAC Name
1-(3-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)N2C3CCC2CC(C3)(CC4=CC=CC=C4)O
InChI
InChI=1S/C22H27N3O2/c1-2-3-12-22(23-24-22)13-11-20(26)25-18-9-10-19(25)16-21(27,15-18)14-17-7-5-4-6-8-17/h1,4-8,18-19,27H,3,9-16H2
InChIKey
HTDJPGUALOXLAA-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

41 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.74  LDD1711 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 6.96  LDD1711 
Antigen peptide transporter 1 (TAP1) LDTP05408 5.24  LDD1711 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 20.68  LDD1711 
ATP-dependent RNA helicase DHX8 (DHX8) LDTP06147 5.31  LDD1711 
Ceramide synthase 1 (CERS1) LDTP03394 5.10  LDD1711 
Ceramide synthase 2 (CERS2) LDTP10329 5.58  LDD1711 
Cytochrome b5 type B (CYB5B) LDTP00697 5.94  LDD1711 
DCN1-like protein 4 (DCUN1D4) LDTP09799 13.45  LDD1711 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 6.32  LDD1711 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.43  LDD1711 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.57  LDD1711 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 5.70  LDD1711 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.32  LDD1711 
Exonuclease 1 (EXO1) LDTP13751 8.17  LDD1711 
Glutathione S-transferase A4 (GSTA4) LDTP00575 16.11  LDD1711 
Heme oxygenase 1 (HMOX1) LDTP02359 10.27  LDD1711 
Heme oxygenase 2 (HMOX2) LDTP03540 11.96  LDD1711 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 9.85  LDD1711 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 6.87  LDD1711 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 12.30  LDD1711 
Lysosomal acid phosphatase (ACP2) LDTP02539 5.13  LDD1711 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.62  LDD1711 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 7.16  LDD1711 
Lysosomal protective protein (CTSA) LDTP02505 9.45  LDD1711 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.24  LDD1711 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 7.36  LDD1711 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 11.71  LDD1711 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 12.82  LDD1711 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 14.32  LDD1711 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 9.38  LDD1711 
Prostaglandin reductase 3 (PTGR3) LDTP15422 5.66  LDD1711 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 16.22  LDD1711 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 5.13  LDD1711 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 5.78  LDD1711 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 6.73  LDD1711 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 10.78  LDD1711 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 27.28  LDD1711 
SET domain-containing protein 4 (SETD4) LDTP12670 5.74  LDD1711 
Sulfotransferase 2A1 (SULT2A1) LDTP05493 14.22  LDD1711 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 9.65  LDD1711 
------------------------------------------------------------------------------------
⏷ Show the Full List of 41 Enzyme
24 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 6.50  LDD1711 
Annexin A1 (ANXA1) LDTP02010 5.06  LDD1711 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 6.28  LDD1711 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 5.90  LDD1711 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.04  LDD1711 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 10.56  LDD1711 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 5.82  LDD1711 
Mitoguardin 1 (MIGA1) LDTP09028 6.32  LDD1711 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 5.74  LDD1711 
Prosaposin (PSAP) LDTP02215 7.31  LDD1711 
Protein GPR107 (GPR107) LDTP07236 7.26  LDD1711 
Protein GPR108 (GPR108) LDTP12383 6.92  LDD1711 
Protein tweety homolog 3 (TTYH3) LDTP11615 7.01  LDD1711 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.39  LDD1711 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 6.45  LDD1711 
Sortilin (SORT1) LDTP10885 5.17  LDD1711 
StAR-related lipid transfer protein 3 (STARD3) LDTP06221 5.70  LDD1711 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.66  LDD1711 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.41  LDD1711 
Transmembrane protein 126A (TMEM126A) LDTP15948 11.00  LDD1711 
Transmembrane protein 199 (TMEM199) LDTP08881 5.62  LDD1711 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.54  LDD1711 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 16.22  LDD1711 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.45  LDD1711 
------------------------------------------------------------------------------------
⏷ Show the Full List of 24 Transporter and channel
26 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 10.48  LDD1711 
Clustered mitochondria protein homolog (CLUH) LDTP14486 9.92  LDD1711 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 5.13  LDD1711 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 6.82  LDD1711 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.74  LDD1711 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 5.03  LDD1711 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 8.06  LDD1711 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 6.19  LDD1711 
MAU2 chromatid cohesion factor homolog (MAU2) LDTP14304 6.19  LDD1711 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 9.85  LDD1711 
Negative elongation factor C/D (NELFCD) LDTP08594 27.86  LDD1711 
Neudesin (NENF) LDTP13630 5.21  LDD1711 
Neuferricin (CYB5D2) LDTP15623 5.21  LDD1711 
Nucleobindin-2 (NUCB2) LDTP05160 13.55  LDD1711 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 13.93  LDD1711 
Programmed cell death protein 5 (PDCD5) LDTP00417 5.39  LDD1711 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.00  LDD1711 
Reticulocalbin-2 (RCN2) LDTP06097 4.99  LDD1711 
RNA-binding protein FXR1 (FXR1) LDTP04395 4.96  LDD1711 
Small ribosomal subunit protein mS33 (MRPS33) LDTP18561 4.99  LDD1711 
Superkiller complex protein 3 (SKIC3) LDTP07574 4.96  LDD1711 
Tetraspanin-6 (TSPAN6) LDTP14458 5.28  LDD1711 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 8.22  LDD1711 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.46  LDD1711 
Ubiquitin-like protein 4A (UBL4A) LDTP02570 5.94  LDD1711 
UBX domain-containing protein 7 (UBXN7) LDTP01451 8.69  LDD1711 
------------------------------------------------------------------------------------
⏷ Show the Full List of 26 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
 LDD1711 
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