Details of the Probe

General Information of Probe

Probe ID
LDPC0070
Probe Name
Photonaproxen
Synonyms
SCHEMBL21903480
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.4
Lipid-water partition coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H20N2O3
IUPAC Name
(2S)-2-[6-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]naphthalen-2-yl]propanoic acid
Canonical SMILES
CC(C1=CC2=C(C=C1)C=C(C=C2)OCCC3(N=N3)CCC#C)C(=O)O
InChI
InChI=1S/C20H20N2O3/c1-3-4-9-20(21-22-20)10-11-25-18-8-7-16-12-15(14(2)19(23)24)5-6-17(16)13-18/h1,5-8,12-14H,4,9-11H2,2H3,(H,23,24)/t14-/m0/s1
InChIKey
UXCBLBCOSXPRKU-AWEZNQCLSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Actin, cytoplasmic 1 (ACTB) LDTP04876 E100; E167; H161; D24  LDD0157 
Arginase-1 (ARG1) LDTP02072 S94  LDD0156 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 Y395; D402  LDD0156 
Bifunctional glutamate/proline--tRNA ligase (EPRS1) LDTP02222 I850; K1499  LDD0156 
Cathepsin D (CTSD) LDTP02198 E324  LDD0156 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 N368; C369  LDD0156 
Deaminated glutathione amidase (NIT1) LDTP15311 S286  LDD0157 
Dynamin-1-like protein (DNM1L) LDTP00273 L424  LDD0156 
Glutathione S-transferase P (GSTP1) LDTP02333 P197; E198  LDD0156 
L-lactate dehydrogenase A chain (LDHA) LDTP01766 E236; V234  LDD0157 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 Y84; F80  LDD0157 
Proteasome subunit beta type-3 (PSMB3) LDTP04284 E106; Y104  LDD0157 
Regulator of nonsense transcripts 1 (UPF1) LDTP09921 R854  LDD0157 
Ribose-phosphate pyrophosphokinase 1 (PRPS1) LDTP04882 V271  LDD0157 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 A189  LDD0157 
SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 5 (SMARCA5) LDTP00931 Q133  LDD0157 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 E386  LDD0156 
X-ray repair cross-complementing protein 6 (XRCC6) LDTP02640 M498; L490  LDD0157 
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⏷ Show the Full List of 18 Enzyme
8 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Complement component 1 Q subcomponent-binding protein, mitochondrial (C1QBP) LDTP05510 V172  LDD0157 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2 (RPN2) LDTP02058 T613  LDD0156 
Electrogenic aspartate/glutamate antiporter SLC25A12, mitochondrial (SLC25A12) LDTP01301 S101  LDD0157 
Heat shock protein HSP 90-beta (HSP90AB1) LDTP02262 G689; D691  LDD0156 
Nuclear pore complex protein Nup155 (NUP155) LDTP01295 Q743  LDD0157 
Protein ELYS (AHCTF1) LDTP09742 S1956; E1950  LDD0157 
T-complex protein 1 subunit delta (CCT4) LDTP04391 S463; N468  LDD0157 
Unconventional myosin-Ic (MYO1C) LDTP00196 L255  LDD0156 
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⏷ Show the Full List of 8 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
AT-rich interactive domain-containing protein 1A (ARID1A) LDTP00350 R1046  LDD0157 
Nascent polypeptide-associated complex subunit alpha, muscle-specific form (NACA) LDTP14411 I1991; L1994  LDD0156 
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1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, A alpha chain (HLA-A) LDTP02040 E87  LDD0157 
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17 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Heat shock protein beta-1 (HSPB1) LDTP02053 G53  LDD0156 
Hemoglobin subunit zeta (HBZ) LDTP01920 T27; E28; E31  LDD0156 
Histone H1.3 (H1-3) LDTP02844 S42  LDD0157 
Histone H2A type 2-A (H2AC18; H2AC19) LDTP07384 E57; P49; I63  LDD0157 
Histone H2A type 2-B (H2AC21) LDTP08450 L56; I63; E62; L59  LDD0157 
Histone H2B type 1-K (H2BC12) LDTP01054 D69; F71; E72; R73  LDD0156 
Keratin, type II cytoskeletal 8 (KRT8) LDTP02125 L214; E220; L356  LDD0156 
Microtubule-associated protein RP/EB family member 1 (MAPRE1) LDTP06444 I224; I227  LDD0157 
Nucleophosmin (NPM1) LDTP02164 V33; D34; E39; E93  LDD0156 
Protein FRG1 (FRG1) LDTP06107 F142; P140  LDD0157 
Protein furry homolog-like (FRYL) LDTP01460 L2752  LDD0157 
Protein RRP5 homolog (PDCD11) LDTP06186 G1711  LDD0157 
Rho GDP-dissociation inhibitor 2 (ARHGDIB) LDTP04511 V159; P158  LDD0157 
RNA-binding protein EWS (EWSR1) LDTP05318 G465  LDD0157 
Spectrin alpha chain, non-erythrocytic 1 (SPTAN1) LDTP05985 L2355  LDD0157 
Thymocyte nuclear protein 1 (THYN1) LDTP18504 E120  LDD0157 
Tubulin beta-4A chain (TUBB4A) LDTP02037 T218; S230; T219  LDD0157 
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⏷ Show the Full List of 17 Other

Full Information of The Labelling Profiles of This Probe

Qualitation: Labeling site identification
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
250 uM
Quantitative Method
Isotope tag
Experiment Method
SIM-PAL
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Chronic myeloid leukemia [ICD-11:2A20]
Model Name
Human chronic myeloid leukemia cells (K562)
Interaction Atlas ID
 LDD0156 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
250 uM
Quantitative Method
Isotope tag
Experiment Method
SIM-PAL
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Bone marrow
Disease Model
T acute lymphoblastic leukemia [ICD-11:2A90]
Model Name
Human T acute lymphoblastic leukemia cells (Jurkat)
Interaction Atlas ID
 LDD0157 
Download The Altas

References

1 Small Molecule Interactome Mapping by Photoaffinity Labeling Reveals Binding Site Hotspots for the NSAIDs. J Am Chem Soc. 2018 Mar 28;140(12):4259-4268. doi: 10.1021/jacs.7b11639. Epub 2018 Mar 15.
Mass spectrometry data entry: PXD007094