Details of the Probe

General Information of Probe

Probe ID
LDPC0337
Probe Name
C085
Synonyms
Z4286591615
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 395.5
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H29N7O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
Canonical SMILES
CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NCCC5(N=N5)CCC#C
InChI
InChI=1S/C21H29N7O/c1-3-4-5-21(25-26-21)6-7-22-18(29)13-19-9-16-8-17(10-19)12-20(11-16,14-19)28-24-15(2)23-27-28/h1,16-17H,4-14H2,2H3,(H,22,29)
InChIKey
ACAQYYOHMFPNBE-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

60 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 18.00  LDD1777 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 5.98  LDD1777 
Acid ceramidase (ASAH1) LDTP05905 5.28  LDD1777 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 13.45  LDD1777 
Beta-galactosidase (GLB1) LDTP02837 5.74  LDD1777 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 9.58  LDD1777 
Calcium/calmodulin-dependent protein kinase type II subunit gamma (CAMK2G) LDTP05920 6.19  LDD1777 
Calcyclin-binding protein (CACYBP) LDTP12163 5.43  LDD1777 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 5.10  LDD1777 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.23  LDD1777 
Ceramide synthase 1 (CERS1) LDTP03394 5.94  LDD1777 
Ceramide synthase 2 (CERS2) LDTP10329 7.01  LDD1777 
Choline kinase alpha (CHKA) LDTP03787 14.52  LDD1777 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 8.40  LDD1777 
Cytochrome b5 type B (CYB5B) LDTP00697 6.63  LDD1777 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 5.03  LDD1777 
Delta(24)-sterol reductase (DHCR24) LDTP06375 14.03  LDD1777 
Dihydrofolate reductase (DHFR) LDTP01769 9.32  LDD1777 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 5.70  LDD1777 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 6.59  LDD1777 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 15.24  LDD1777 
Epoxide hydrolase 1 (EPHX1) LDTP02175 6.11  LDD1777 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 8.11  LDD1777 
Heme oxygenase 1 (HMOX1) LDTP02359 5.98  LDD1777 
Heme oxygenase 2 (HMOX2) LDTP03540 5.94  LDD1777 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.21  LDD1777 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 13.93  LDD1777 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 7.52  LDD1777 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 14.93  LDD1777 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 6.41  LDD1777 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 15.14  LDD1777 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 7.21  LDD1777 
N-alpha-acetyltransferase 35, NatC auxiliary subunit (NAA35) LDTP07259 8.94  LDD1777 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 4.92  LDD1777 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.85  LDD1777 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 10.56  LDD1777 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 9.06  LDD1777 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 8.88  LDD1777 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 4.92  LDD1777 
Phospholipase A2 group XV (PLA2G15) LDTP09088 10.78  LDD1777 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 12.91  LDD1777 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 10.70  LDD1777 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 7.89  LDD1777 
Prostaglandin reductase 3 (PTGR3) LDTP15422 6.11  LDD1777 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 5.10  LDD1777 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 14.03  LDD1777 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 9.71  LDD1777 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 6.19  LDD1777 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 6.11  LDD1777 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 6.92  LDD1777 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 13.64  LDD1777 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 6.92  LDD1777 
RAC-beta serine/threonine-protein kinase (AKT2) LDTP03608 5.54  LDD1777 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 14.52  LDD1777 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 17.88  LDD1777 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 12.30  LDD1777 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 17.63  LDD1777 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 5.82  LDD1777 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.32  LDD1777 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 7.62  LDD1777 
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⏷ Show the Full List of 60 Enzyme
34 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 9.78  LDD1777 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 11.47  LDD1777 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 12.73  LDD1777 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 22.94  LDD1777 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 12.38  LDD1777 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.88  LDD1777 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 7.78  LDD1777 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.62  LDD1777 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.51  LDD1777 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 21.26  LDD1777 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 12.55  LDD1777 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 7.21  LDD1777 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 19.16  LDD1777 
Mpv17-like protein 2 (MPV17L2) LDTP14952 9.19  LDD1777 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 7.11  LDD1777 
Prosaposin (PSAP) LDTP02215 5.98  LDD1777 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 9.85  LDD1777 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 8.82  LDD1777 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 15.03  LDD1777 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 6.50  LDD1777 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.46  LDD1777 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 5.78  LDD1777 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 9.99  LDD1777 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 16.56  LDD1777 
Tetraspanin-10 (TSPAN10) LDTP15967 10.13  LDD1777 
Tetraspanin-3 (TSPAN3) LDTP16813 5.54  LDD1777 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.70  LDD1777 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.82  LDD1777 
Transmembrane protein 126A (TMEM126A) LDTP15948 5.50  LDD1777 
Transmembrane protein 160 (TMEM160) LDTP20002 6.11  LDD1777 
Transmembrane protein 199 (TMEM199) LDTP08881 10.41  LDD1777 
Transmembrane protein 87A (TMEM87A) LDTP15481 17.63  LDD1777 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.94  LDD1777 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.26  LDD1777 
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⏷ Show the Full List of 34 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Y-box-binding protein 1 (YBX1) LDTP05065 4.92  LDD1777 
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34 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.21  LDD1777 
Apolipoprotein L2 (APOL2) LDTP11076 15.56  LDD1777 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.41  LDD1777 
Calumenin (CALU) LDTP00887 5.10  LDD1777 
Centrosomal protein 43 (CEP43) LDTP01652 6.02  LDD1777 
Clustered mitochondria protein homolog (CLUH) LDTP14486 13.18  LDD1777 
Dynactin subunit 4 (DCTN4) LDTP13402 9.45  LDD1777 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 7.89  LDD1777 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 16.68  LDD1777 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 18.51  LDD1777 
Golgi apparatus protein 1 (GLG1) LDTP09920 5.78  LDD1777 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 11.55  LDD1777 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 4.96  LDD1777 
Leukocyte receptor cluster member 8 (LENG8) LDTP10703 7.36  LDD1777 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 10.63  LDD1777 
Mediator of RNA polymerase II transcription subunit 25 (MED25) LDTP07906 9.58  LDD1777 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 12.64  LDD1777 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 8.40  LDD1777 
Neudesin (NENF) LDTP13630 8.40  LDD1777 
Nucleobindin-1 (NUCB1) LDTP05375 9.92  LDD1777 
Nucleobindin-2 (NUCB2) LDTP05160 19.97  LDD1777 
Nurim (NRM) LDTP08606 5.35  LDD1777 
Protein CEBPZOS (CEBPZOS) LDTP18883 8.34  LDD1777 
Protein CutA (CUTA) LDTP01075 6.59  LDD1777 
Protein FAM114A2 (FAM114A2) LDTP16080 5.10  LDD1777 
Protein SET (SET) LDTP05277 5.17  LDD1777 
Protein unc-119 homolog A (UNC119) LDTP05868 6.06  LDD1777 
Protein unc-119 homolog B (UNC119B) LDTP00105 10.56  LDD1777 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 14.22  LDD1777 
Syntaxin-18 (STX18) LDTP13086 4.99  LDD1777 
Tetraspanin-6 (TSPAN6) LDTP14458 5.54  LDD1777 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 5.03  LDD1777 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 9.78  LDD1777 
Vimentin (VIM) LDTP02297 5.03  LDD1777 
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⏷ Show the Full List of 34 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
 LDD1777 
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