Details of the Probe

General Information of Probe

Probe ID
LDPC0533
Probe Name
C304
Synonyms
Z4282859693
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.4
Lipid-water partition coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H21N5O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
Canonical SMILES
CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CCC4(N=N4)CCC#C
InChI
InChI=1S/C22H21N5O/c1-3-4-12-22(25-26-22)13-11-20(28)23-18-9-7-17(8-10-18)19-15-27-14-5-6-16(2)21(27)24-19/h1,5-10,14-15H,4,11-13H2,2H3,(H,23,28)
InChIKey
UCNAKOQBHDQNAN-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

22 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine deaminase (ADA) LDTP01803 5.46  LDD1973 
ADP-dependent glucokinase (ADPGK) LDTP11127 5.50  LDD1973 
ATP-binding cassette sub-family C member 4 (ABCC4) LDTP00639 5.90  LDD1973 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 8.06  LDD1973 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.35  LDD1973 
Cytochrome b5 type B (CYB5B) LDTP00697 6.02  LDD1973 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 9.65  LDD1973 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.02  LDD1973 
Delta(24)-sterol reductase (DHCR24) LDTP06375 5.70  LDD1973 
DNA-3-methyladenine glycosylase (MPG) LDTP03481 5.86  LDD1973 
Epoxide hydrolase 1 (EPHX1) LDTP02175 8.34  LDD1973 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 10.85  LDD1973 
Methionine aminopeptidase 1 (METAP1) LDTP04565 5.39  LDD1973 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 7.11  LDD1973 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 6.68  LDD1973 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 5.39  LDD1973 
Pirin (PIR) LDTP00325 7.84  LDD1973 
Rab-like protein 3 (RABL3) LDTP06986 5.50  LDD1973 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 13.45  LDD1973 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 8.82  LDD1973 
Squalene synthase (FDFT1) LDTP03842 9.25  LDD1973 
Translin (TSN) LDTP06427 5.54  LDD1973 
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⏷ Show the Full List of 22 Enzyme
16 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 6.11  LDD1973 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.45  LDD1973 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 8.22  LDD1973 
Intermembrane lipid transfer protein VPS13A (VPS13A) LDTP10769 14.52  LDD1973 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 5.50  LDD1973 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 17.63  LDD1973 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 30.06  LDD1973 
Protein GPR107 (GPR107) LDTP07236 6.11  LDD1973 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 10.41  LDD1973 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.11  LDD1973 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 5.94  LDD1973 
Transmembrane protein 160 (TMEM160) LDTP20002 6.32  LDD1973 
Transmembrane protein 199 (TMEM199) LDTP08881 13.18  LDD1973 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 10.56  LDD1973 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 9.78  LDD1973 
Zinc transporter 7 (SLC30A7) LDTP09180 7.46  LDD1973 
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⏷ Show the Full List of 16 Transporter and channel
6 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.50  LDD1973 
Apolipoprotein L2 (APOL2) LDTP11076 29.65  LDD1973 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.16  LDD1973 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.50  LDD1973 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 22.63  LDD1973 
Reticulon-3 (RTN3) LDTP01522 5.35  LDD1973 
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⏷ Show the Full List of 6 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
 LDD1973 
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