Details of the Probe

General Information of Probe

Probe ID
LDPC0346
Probe Name
C095
Synonyms
Z4282859949
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 361.4
Lipid-water partition coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H19N7O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-(6-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)propanamide
Canonical SMILES
CN1C2=NNC(=C2C(=N1)C3=CC=CC=C3)NC(=O)CCC4(N=N4)CCC#C
InChI
InChI=1S/C19H19N7O/c1-3-4-11-19(24-25-19)12-10-14(27)20-17-15-16(13-8-6-5-7-9-13)23-26(2)18(15)22-21-17/h1,5-9H,4,10-12H2,2H3,(H2,20,21,22,27)
InChIKey
XSDJWHWOHOTGET-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

54 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine kinase (ADK) LDTP04689 5.28  LDD1786 
ADP-dependent glucokinase (ADPGK) LDTP11127 7.01  LDD1786 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 7.06  LDD1786 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 6.96  LDD1786 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 6.19  LDD1786 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 6.50  LDD1786 
Catechol O-methyltransferase (COMT) LDTP03145 5.86  LDD1786 
CCR4-NOT transcription complex subunit 4 (CNOT4) LDTP01640 5.43  LDD1786 
Ceramide glucosyltransferase (UGCG) LDTP06617 6.23  LDD1786 
Ceramide synthase 2 (CERS2) LDTP10329 5.98  LDD1786 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 9.51  LDD1786 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 8.69  LDD1786 
Cytochrome b-c1 complex subunit Rieske, mitochondrial (UQCRFS1) LDTP04144 5.43  LDD1786 
Cytochrome b5 type B (CYB5B) LDTP00697 25.81  LDD1786 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 7.06  LDD1786 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.82  LDD1786 
Delta(24)-sterol reductase (DHCR24) LDTP06375 7.11  LDD1786 
Dephospho-CoA kinase domain-containing protein (DCAKD) LDTP18087 5.39  LDD1786 
Dol-P-Man:Man(7)GlcNAc(2)-PP-Dol alpha-1,6-mannosyltransferase (ALG12) LDTP11259 5.86  LDD1786 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A (STT3A) LDTP04120 5.10  LDD1786 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.46  LDD1786 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 6.36  LDD1786 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.89  LDD1786 
GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase (ALG11) LDTP06721 5.24  LDD1786 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 7.31  LDD1786 
GTP-binding protein SAR1b (SAR1B) LDTP14231 4.92  LDD1786 
Heme oxygenase 1 (HMOX1) LDTP02359 9.25  LDD1786 
Heme oxygenase 2 (HMOX2) LDTP03540 14.42  LDD1786 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 8.69  LDD1786 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 4.96  LDD1786 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 9.65  LDD1786 
Lysophosphatidylcholine acyltransferase 1 (LPCAT1) LDTP09188 5.17  LDD1786 
Methionine aminopeptidase 1 (METAP1) LDTP04565 5.50  LDD1786 
Minor histocompatibility antigen H13 (HM13) LDTP09396 8.51  LDD1786 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.31  LDD1786 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 5.54  LDD1786 
NADH dehydrogenase 1 alpha subcomplex subunit 13 (NDUFA13) LDTP12959 7.84  LDD1786 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 13.09  LDD1786 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 12.13  LDD1786 
Peroxisomal carnitine O-octanoyltransferase (CROT) LDTP13453 5.24  LDD1786 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 4.99  LDD1786 
Phosphatidylserine synthase 2 (PTDSS2) LDTP11284 4.99  LDD1786 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 10.41  LDD1786 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 5.62  LDD1786 
Ras-related protein Rab-24 (RAB24) LDTP10020 6.06  LDD1786 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 5.58  LDD1786 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.59  LDD1786 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 5.06  LDD1786 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 5.03  LDD1786 
Squalene monooxygenase (SQLE) LDTP06142 5.13  LDD1786 
STAM-binding protein (STAMBP) LDTP01641 5.13  LDD1786 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 8.11  LDD1786 
Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 2 (HACD2) LDTP07756 5.46  LDD1786 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 13.55  LDD1786 
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⏷ Show the Full List of 54 Enzyme
40 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
AP-3 complex subunit delta-1 (AP3D1) LDTP00383 5.54  LDD1786 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 11.08  LDD1786 
Complex I assembly factor TMEM126B, mitochondrial (TMEM126B) LDTP08469 6.36  LDD1786 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 6.87  LDD1786 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 29.04  LDD1786 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 6.68  LDD1786 
Derlin-1 (DERL1) LDTP11245 4.96  LDD1786 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 18.13  LDD1786 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 10.06  LDD1786 
Etoposide-induced protein 2.4 homolog (EI24) LDTP00405 4.92  LDD1786 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 5.31  LDD1786 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.17  LDD1786 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 7.11  LDD1786 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 7.31  LDD1786 
Metaxin-1 (MTX1) LDTP05900 14.52  LDD1786 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 7.89  LDD1786 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 8.51  LDD1786 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 6.41  LDD1786 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 23.75  LDD1786 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 31.56  LDD1786 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 16.22  LDD1786 
Mitochondrial import inner membrane translocase subunit Tim23 (TIMM23) LDTP00477 4.92  LDD1786 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 5.90  LDD1786 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 15.24  LDD1786 
Mitochondrial thiamine pyrophosphate carrier (SLC25A19) LDTP12210 5.58  LDD1786 
Nucleoporin NDC1 (NDC1) LDTP11213 6.92  LDD1786 
PAT complex subunit CCDC47 (CCDC47) LDTP10059 5.24  LDD1786 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 18.90  LDD1786 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 7.46  LDD1786 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 9.65  LDD1786 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 5.35  LDD1786 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 18.51  LDD1786 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 6.73  LDD1786 
Transmembrane protein 126A (TMEM126A) LDTP15948 12.21  LDD1786 
Transmembrane protein 160 (TMEM160) LDTP20002 12.73  LDD1786 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 8.34  LDD1786 
Vacuole membrane protein 1 (VMP1) LDTP10343 5.21  LDD1786 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.36  LDD1786 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.19  LDD1786 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 5.24  LDD1786 
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⏷ Show the Full List of 40 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
DnaJ homolog subfamily C member 1 (DNAJC1) LDTP10501 5.06  LDD1786 
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37 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Apolipoprotein L2 (APOL2) LDTP11076 11.96  LDD1786 
Bcl-2-like protein 13 (BCL2L13) LDTP11389 5.86  LDD1786 
Centrin-2 (CETN2) LDTP03926 56.49  LDD1786 
Endoplasmic reticulum-Golgi intermediate compartment protein 2 (ERGIC2) LDTP10775 5.58  LDD1786 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 9.25  LDD1786 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 16.00  LDD1786 
Glycosylphosphatidylinositol anchor attachment 1 protein (GPAA1) LDTP00729 5.98  LDD1786 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 6.50  LDD1786 
Integral membrane protein GPR180 (GPR180) LDTP19625 5.21  LDD1786 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.35  LDD1786 
LysM and putative peptidoglycan-binding domain-containing protein 3 (LYSMD3) LDTP15240 6.28  LDD1786 
Mdm2-binding protein (MTBP) LDTP15714 4.99  LDD1786 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 17.88  LDD1786 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 21.11  LDD1786 
Nucleobindin-1 (NUCB1) LDTP05375 9.19  LDD1786 
Nucleobindin-2 (NUCB2) LDTP05160 13.83  LDD1786 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 5.10  LDD1786 
Optic atrophy 3 protein (OPA3) LDTP16006 5.24  LDD1786 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 10.48  LDD1786 
Protein FAM114A2 (FAM114A2) LDTP16080 7.26  LDD1786 
Protein FAM162A (FAM162A) LDTP10056 11.88  LDD1786 
Protein FAM177A1 (FAM177A1) LDTP15398 6.92  LDD1786 
Protein jagunal homolog 1 (JAGN1) LDTP08904 5.78  LDD1786 
Protein LYRIC (MTDH) LDTP08224 6.28  LDD1786 
Protein YIF1A (YIF1A) LDTP01494 8.28  LDD1786 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 4.99  LDD1786 
Reticulocalbin-2 (RCN2) LDTP06097 6.63  LDD1786 
Reticulon-2 (RTN2) LDTP01167 5.94  LDD1786 
Reticulon-3 (RTN3) LDTP01522 21.71  LDD1786 
Reticulon-4 (RTN4) LDTP12412 7.01  LDD1786 
RUS family member 1 (RUSF1) LDTP10357 6.11  LDD1786 
Synaptogyrin-2 (SYNGR2) LDTP00859 7.78  LDD1786 
Syntaxin-18 (STX18) LDTP13086 8.28  LDD1786 
TBC1 domain family member 23 (TBC1D23) LDTP12651 6.06  LDD1786 
Testis-expressed protein 264 (TEX264) LDTP14259 13.83  LDD1786 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 7.73  LDD1786 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 8.17  LDD1786 
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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
 LDD1786 
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