Details of the Probe

General Information of Probe

Probe ID
LDPC0307
Probe Name
C049
Synonyms
Z3337873462
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 367.4
Lipid-water partition coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H25N3O3
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethyl]propanamide
Canonical SMILES
CC1=CC2=C(C(=C1)OC)OC(=C2C)C(C)NC(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C21H25N3O3/c1-6-7-9-21(23-24-21)10-8-18(25)22-15(4)19-14(3)16-11-13(2)12-17(26-5)20(16)27-19/h1,11-12,15H,7-10H2,2-5H3,(H,22,25)
InChIKey
GBCKWHGKHPSTOY-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-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 5.98  LDD1747 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 8.00  LDD1747 
ADP-dependent glucokinase (ADPGK) LDTP11127 7.16  LDD1747 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 11.24  LDD1747 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 7.36  LDD1747 
Catechol O-methyltransferase (COMT) LDTP03145 6.06  LDD1747 
CDGSH iron-sulfur domain-containing protein 1 (CISD1) LDTP12873 6.28  LDD1747 
Ceramide synthase 1 (CERS1) LDTP03394 7.11  LDD1747 
Ceramide synthase 2 (CERS2) LDTP10329 5.39  LDD1747 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 12.04  LDD1747 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 16.56  LDD1747 
Cytochrome b5 type B (CYB5B) LDTP00697 29.86  LDD1747 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 4.96  LDD1747 
DCN1-like protein 5 (DCUN1D5) LDTP11199 5.06  LDD1747 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 5.70  LDD1747 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 4.96  LDD1747 
Delta(24)-sterol reductase (DHCR24) LDTP06375 8.88  LDD1747 
Dephospho-CoA kinase domain-containing protein (DCAKD) LDTP18087 5.54  LDD1747 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.62  LDD1747 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.43  LDD1747 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.46  LDD1747 
Heme oxygenase 1 (HMOX1) LDTP02359 17.51  LDD1747 
Heme oxygenase 2 (HMOX2) LDTP03540 16.91  LDD1747 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 9.13  LDD1747 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 5.62  LDD1747 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 19.70  LDD1747 
Minor histocompatibility antigen H13 (HM13) LDTP09396 5.74  LDD1747 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 6.82  LDD1747 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 5.86  LDD1747 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 18.77  LDD1747 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 5.90  LDD1747 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 5.35  LDD1747 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 6.59  LDD1747 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 5.10  LDD1747 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.22  LDD1747 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 6.82  LDD1747 
Ras-related protein Rab-24 (RAB24) LDTP10020 5.78  LDD1747 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 6.54  LDD1747 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 5.21  LDD1747 
Retinol dehydrogenase 13 (RDH13) LDTP09061 5.06  LDD1747 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 5.13  LDD1747 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.01  LDD1747 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 8.00  LDD1747 
TLC domain-containing protein 1 (TLCD1) LDTP10182 4.96  LDD1747 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 16.34  LDD1747 
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⏷ Show the Full List of 45 Enzyme
43 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 7.06  LDD1747 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 13.93  LDD1747 
BRI3-binding protein (BRI3BP) LDTP15648 7.11  LDD1747 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 5.82  LDD1747 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 30.06  LDD1747 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 38.59  LDD1747 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 22.32  LDD1747 
Etoposide-induced protein 2.4 homolog (EI24) LDTP00405 7.52  LDD1747 
Golgi SNAP receptor complex member 1 (GOSR1) LDTP01542 6.96  LDD1747 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.43  LDD1747 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 10.20  LDD1747 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.70  LDD1747 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 5.13  LDD1747 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 8.51  LDD1747 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 9.78  LDD1747 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 10.63  LDD1747 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 7.73  LDD1747 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 18.51  LDD1747 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 24.93  LDD1747 
Mitochondrial import inner membrane translocase subunit Tim23 (TIMM23) LDTP00477 5.31  LDD1747 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 7.57  LDD1747 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 6.77  LDD1747 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.59  LDD1747 
Nucleoporin NDC1 (NDC1) LDTP11213 5.66  LDD1747 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 14.93  LDD1747 
Protein spinster homolog 1 (SPNS1) LDTP11844 6.92  LDD1747 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 7.84  LDD1747 
Reticulon-1 (RTN1) LDTP06633 4.92  LDD1747 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 5.43  LDD1747 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 8.11  LDD1747 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 6.63  LDD1747 
Surfeit locus protein 4 (SURF4) LDTP00592 5.82  LDD1747 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.13  LDD1747 
Translocator protein (TSPO) LDTP03546 8.69  LDD1747 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 11.88  LDD1747 
Transmembrane protein 126A (TMEM126A) LDTP15948 16.56  LDD1747 
Transmembrane protein 199 (TMEM199) LDTP08881 7.06  LDD1747 
Transmembrane protein 230 (TMEM230) LDTP10065 5.78  LDD1747 
Transmembrane protein 33 (TMEM33) LDTP04787 6.73  LDD1747 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.39  LDD1747 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 15.78  LDD1747 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 6.23  LDD1747 
Zinc transporter 7 (SLC30A7) LDTP09180 7.52  LDD1747 
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⏷ Show the Full List of 43 Transporter and channel
37 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 12.55  LDD1747 
Centrin-2 (CETN2) LDTP03926 5.35  LDD1747 
Clustered mitochondria protein homolog (CLUH) LDTP14486 4.92  LDD1747 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 15.14  LDD1747 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 11.88  LDD1747 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 49.18  LDD1747 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 20.39  LDD1747 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 9.85  LDD1747 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 10.93  LDD1747 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 17.63  LDD1747 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 28.84  LDD1747 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 14.22  LDD1747 
NHP2-like protein 1 (SNU13) LDTP04708 5.13  LDD1747 
Nucleobindin-1 (NUCB1) LDTP05375 9.71  LDD1747 
Nucleobindin-2 (NUCB2) LDTP05160 11.31  LDD1747 
Optic atrophy 3 protein (OPA3) LDTP16006 6.96  LDD1747 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 5.13  LDD1747 
Protein CEBPZOS (CEBPZOS) LDTP18883 8.69  LDD1747 
Protein FAM114A2 (FAM114A2) LDTP16080 5.70  LDD1747 
Protein FAM162A (FAM162A) LDTP10056 8.17  LDD1747 
Protein jagunal homolog 1 (JAGN1) LDTP08904 5.98  LDD1747 
Protein LYRIC (MTDH) LDTP08224 6.63  LDD1747 
Reticulon-3 (RTN3) LDTP01522 12.13  LDD1747 
Reticulon-4 (RTN4) LDTP12412 9.92  LDD1747 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 8.00  LDD1747 
Syntaxin-18 (STX18) LDTP13086 6.96  LDD1747 
Tetraspanin-6 (TSPAN6) LDTP14458 7.21  LDD1747 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 7.52  LDD1747 
Tubulin beta chain (TUBB) LDTP02205 8.46  LDD1747 
Tubulin beta-2A chain (TUBB2A) LDTP05998 7.73  LDD1747 
Tubulin beta-2B chain (TUBB2B) LDTP11277 9.99  LDD1747 
Tubulin beta-4A chain (TUBB4A) LDTP02037 8.06  LDD1747 
Tubulin beta-4B chain (TUBB4B) LDTP05076 6.59  LDD1747 
Tubulin beta-6 chain (TUBB6) LDTP11233 5.28  LDD1747 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 6.73  LDD1747 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 5.06  LDD1747 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 14.42  LDD1747 
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⏷ Show the Full List of 37 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
 LDD1747 
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