Details of the Probe

General Information of Probe

Probe ID
LDPC0502
Probe Name
C272
Synonyms
Z4286591358
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.35
Lipid-water partition coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H17N5O2
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[(2-cyanoacetyl)amino]benzamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=CC=CC=C2NC(=O)CC#N
InChI
InChI=1S/C17H17N5O2/c1-2-3-9-17(21-22-17)10-12-19-16(24)13-6-4-5-7-14(13)20-15(23)8-11-18/h1,4-7H,3,8-10,12H2,(H,19,24)(H,20,23)
InChIKey
WCMACKQNFQATLY-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

15 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 5.13  LDD1942 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 8.88  LDD1942 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 5.24  LDD1942 
Cyclin-G-associated kinase (GAK) LDTP00497 5.43  LDD1942 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.31  LDD1942 
Ferrochelatase, mitochondrial (FECH) LDTP03198 11.88  LDD1942 
Heme oxygenase 2 (HMOX2) LDTP03540 20.39  LDD1942 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 10.93  LDD1942 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 5.86  LDD1942 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 32.22  LDD1942 
Phospholipase A2 group XV (PLA2G15) LDTP09088 5.50  LDD1942 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.96  LDD1942 
Protein O-GlcNAcase (OGA) LDTP00988 4.96  LDD1942 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 5.21  LDD1942 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 7.21  LDD1942 
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⏷ Show the Full List of 15 Enzyme
18 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 14.22  LDD1942 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 7.84  LDD1942 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.10  LDD1942 
Metaxin-1 (MTX1) LDTP05900 6.92  LDD1942 
Metaxin-2 (MTX2) LDTP01217 5.24  LDD1942 
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) LDTP11095 5.50  LDD1942 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.21  LDD1942 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 8.06  LDD1942 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.36  LDD1942 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.78  LDD1942 
Protein GPR108 (GPR108) LDTP12383 5.39  LDD1942 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 5.74  LDD1942 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 5.21  LDD1942 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 5.54  LDD1942 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 4.99  LDD1942 
Transmembrane protein 160 (TMEM160) LDTP20002 5.31  LDD1942 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.11  LDD1942 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 7.01  LDD1942 
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⏷ Show the Full List of 18 Transporter and channel
10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 6.73  LDD1942 
Centrosomal protein 43 (CEP43) LDTP01652 6.45  LDD1942 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.59  LDD1942 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.54  LDD1942 
Neudesin (NENF) LDTP13630 5.78  LDD1942 
Neuferricin (CYB5D2) LDTP15623 5.98  LDD1942 
Protein CEBPZOS (CEBPZOS) LDTP18883 6.96  LDD1942 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 4.96  LDD1942 
Small ribosomal subunit protein uS9m (MRPS9) LDTP14792 12.30  LDD1942 
Tetraspanin-6 (TSPAN6) LDTP14458 5.46  LDD1942 
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⏷ Show the Full List of 10 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
 LDD1942 
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