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

29 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 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.03  LDD1879 
BRCA1-associated protein (BRAP) LDTP08084 8.57  LDD1879 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 4.96  LDD1879 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 11.88  LDD1879 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 92.41  LDD1879 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.62  LDD1879 
Cytochrome b5 type B (CYB5B) LDTP00697 6.87  LDD1879 
Delta(24)-sterol reductase (DHCR24) LDTP06375 20.39  LDD1879 
Endoplasmic reticulum aminopeptidase 2 (ERAP2) LDTP07503 7.78  LDD1879 
Fumarylacetoacetase (FAH) LDTP02868 30.27  LDD1879 
Heme oxygenase 1 (HMOX1) LDTP02359 5.50  LDD1879 
Heme oxygenase 2 (HMOX2) LDTP03540 8.06  LDD1879 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 5.54  LDD1879 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 7.41  LDD1879 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 4.96  LDD1879 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 9.85  LDD1879 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 5.58  LDD1879 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.25  LDD1879 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 7.16  LDD1879 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 20.25  LDD1879 
Pachytene checkpoint protein 2 homolog (TRIP13) LDTP06432 6.23  LDD1879 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 16.56  LDD1879 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.63  LDD1879 
Protein O-GlcNAcase (OGA) LDTP00988 10.06  LDD1879 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.89  LDD1879 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.15  LDD1879 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.78  LDD1879 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 7.11  LDD1879 
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⏷ Show the Full List of 29 Enzyme
18 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 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 12.13  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 
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 Tim17-B (TIMM17B) LDTP01059 18.13  LDD1879 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.24  LDD1879 
Protein GPR107 (GPR107) LDTP07236 7.78  LDD1879 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.00  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 33 (SLC25A33) LDTP11162 7.89  LDD1879 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.23  LDD1879 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.31  LDD1879 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.17  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 
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⏷ Show the Full List of 18 Transporter and channel
15 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 
Clustered mitochondria protein homolog (CLUH) LDTP14486 16.68  LDD1879 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 5.70  LDD1879 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.82  LDD1879 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 5.43  LDD1879 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 8.17  LDD1879 
Nucleobindin-1 (NUCB1) LDTP05375 5.66  LDD1879 
Nucleobindin-2 (NUCB2) LDTP05160 10.85  LDD1879 
Protein CutA (CUTA) LDTP01075 5.70  LDD1879 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 9.99  LDD1879 
Reticulon-4 (RTN4) LDTP12412 5.43  LDD1879 
Syntaxin-18 (STX18) LDTP13086 5.21  LDD1879 
T-complex protein 11-like protein 1 (TCP11L1) LDTP12629 8.06  LDD1879 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 4.99  LDD1879 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 10.63  LDD1879 
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⏷ Show the Full List of 15 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