Details of the Probe

General Information of Probe

Probe ID
LDPC0439
Probe Name
C204
Synonyms
Z3337874567
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 365.5
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H19N3O3S2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide
Canonical SMILES
CC1CC(C2=C(S1(=O)=O)SC=C2)NC(=O)CCC3(N=N3)CCC#C
InChI
InChI=1S/C16H19N3O3S2/c1-3-4-7-16(18-19-16)8-5-14(20)17-13-10-11(2)24(21,22)15-12(13)6-9-23-15/h1,6,9,11,13H,4-5,7-8,10H2,2H3,(H,17,20)/t11-,13-/m0/s1
InChIKey
BKGQGLMTOJMPMR-AAEUAGOBSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

58 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 9.85  LDD1879 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 9.85  LDD1879 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.03  LDD1879 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.03  LDD1879 
BRCA1-associated protein (BRAP) LDTP08084 8.57  LDD1879 
BRCA1-associated protein (BRAP) LDTP08084 8.57  LDD1879 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 4.96  LDD1879 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 4.96  LDD1879 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 11.88  LDD1879 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 11.88  LDD1879 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 92.41  LDD1879 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 92.41  LDD1879 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.62  LDD1879 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.62  LDD1879 
Cytochrome b5 type B (CYB5B) LDTP00697 6.87  LDD1879 
Cytochrome b5 type B (CYB5B) LDTP00697 6.87  LDD1879 
Delta(24)-sterol reductase (DHCR24) LDTP06375 20.39  LDD1879 
Delta(24)-sterol reductase (DHCR24) LDTP06375 20.39  LDD1879 
Endoplasmic reticulum aminopeptidase 2 (ERAP2) LDTP07503 7.78  LDD1879 
Endoplasmic reticulum aminopeptidase 2 (ERAP2) LDTP07503 7.78  LDD1879 
Fumarylacetoacetase (FAH) LDTP02868 30.27  LDD1879 
Fumarylacetoacetase (FAH) LDTP02868 30.27  LDD1879 
Heme oxygenase 1 (HMOX1) LDTP02359 5.50  LDD1879 
Heme oxygenase 1 (HMOX1) LDTP02359 5.50  LDD1879 
Heme oxygenase 2 (HMOX2) LDTP03540 8.06  LDD1879 
Heme oxygenase 2 (HMOX2) LDTP03540 8.06  LDD1879 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.54  LDD1879 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.54  LDD1879 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.41  LDD1879 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.41  LDD1879 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.96  LDD1879 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.96  LDD1879 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 9.85  LDD1879 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 9.85  LDD1879 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.58  LDD1879 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.58  LDD1879 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.25  LDD1879 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.25  LDD1879 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 7.16  LDD1879 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 7.16  LDD1879 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 20.25  LDD1879 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 20.25  LDD1879 
Pachytene checkpoint protein 2 homolog (TRIP13) LDTP06432 6.23  LDD1879 
Pachytene checkpoint protein 2 homolog (TRIP13) LDTP06432 6.23  LDD1879 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 16.56  LDD1879 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 16.56  LDD1879 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.63  LDD1879 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.63  LDD1879 
Protein O-GlcNAcase (OGA) LDTP00988 10.06  LDD1879 
Protein O-GlcNAcase (OGA) LDTP00988 10.06  LDD1879 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.89  LDD1879 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.89  LDD1879 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.15  LDD1879 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.15  LDD1879 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.78  LDD1879 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.78  LDD1879 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 7.11  LDD1879 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 7.11  LDD1879 
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⏷ Show the Full List of 58 Enzyme
36 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.46  LDD1879 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.46  LDD1879 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.13  LDD1879 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.13  LDD1879 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 6.11  LDD1879 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 6.11  LDD1879 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 19.29  LDD1879 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 19.29  LDD1879 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 7.11  LDD1879 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 7.11  LDD1879 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 8.46  LDD1879 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 8.46  LDD1879 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 18.13  LDD1879 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 18.13  LDD1879 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.24  LDD1879 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.24  LDD1879 
Protein GPR107 (GPR107) LDTP07236 7.78  LDD1879 
Protein GPR107 (GPR107) LDTP07236 7.78  LDD1879 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.00  LDD1879 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.00  LDD1879 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 6.06  LDD1879 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 6.06  LDD1879 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 13.83  LDD1879 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 13.83  LDD1879 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 7.89  LDD1879 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 7.89  LDD1879 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.23  LDD1879 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.23  LDD1879 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.31  LDD1879 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.31  LDD1879 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.17  LDD1879 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.17  LDD1879 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.58  LDD1879 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.58  LDD1879 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.94  LDD1879 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.94  LDD1879 
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⏷ Show the Full List of 36 Transporter and channel
30 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 9.71  LDD1879 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 9.71  LDD1879 
Clustered mitochondria protein homolog (CLUH) LDTP14486 16.68  LDD1879 
Clustered mitochondria protein homolog (CLUH) LDTP14486 16.68  LDD1879 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.70  LDD1879 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.70  LDD1879 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.82  LDD1879 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.82  LDD1879 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 5.43  LDD1879 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 5.43  LDD1879 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.17  LDD1879 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.17  LDD1879 
Nucleobindin-1 (NUCB1) LDTP05375 5.66  LDD1879 
Nucleobindin-1 (NUCB1) LDTP05375 5.66  LDD1879 
Nucleobindin-2 (NUCB2) LDTP05160 10.85  LDD1879 
Nucleobindin-2 (NUCB2) LDTP05160 10.85  LDD1879 
Protein CutA (CUTA) LDTP01075 5.70  LDD1879 
Protein CutA (CUTA) LDTP01075 5.70  LDD1879 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 9.99  LDD1879 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 9.99  LDD1879 
Reticulon-4 (RTN4) LDTP12412 5.43  LDD1879 
Reticulon-4 (RTN4) LDTP12412 5.43  LDD1879 
Syntaxin-18 (STX18) LDTP13086 5.21  LDD1879 
Syntaxin-18 (STX18) LDTP13086 5.21  LDD1879 
T-complex protein 11-like protein 1 (TCP11L1) LDTP12629 8.06  LDD1879 
T-complex protein 11-like protein 1 (TCP11L1) LDTP12629 8.06  LDD1879 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 4.99  LDD1879 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 4.99  LDD1879 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 10.63  LDD1879 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 10.63  LDD1879 
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⏷ Show the Full List of 30 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
 LDD1879 
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