Details of the Probe

General Information of Probe

Probe ID
LDPC0443
Probe Name
C208
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.476
Lipid-water partition coefficient (xlogp) 3.0634
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H30N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])(N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])C([H])(C([H])([H])[H])C([H])([H])[H])N=N1
InChI
InChI=1S/C19H30N4O/c1-4-5-9-19(20-21-19)10-8-18(24)23-14-16(13-17(23)15(2)3)22-11-6-7-12-22/h1,15-17H,5-14H2,2-3H3/t16-,17-/m1/s1
InChIKey
KAJXECKGUUHKRK-IAGOWNOFSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

45 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 17.27  LDD1883 
Acid ceramidase (ASAH1) LDTP05905 6.87  LDD1883 
Alpha-galactosidase A (GLA) LDTP02141 16.91  LDD1883 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 11.39  LDD1883 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 10.48  LDD1883 
Beta-galactosidase (GLB1) LDTP02837 5.94  LDD1883 
Beta-galactosidase-1-like protein 2 (GLB1L2) LDTP17633 18.13  LDD1883 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 10.93  LDD1883 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 6.28  LDD1883 
Beta-mannosidase (MANBA) LDTP00282 19.97  LDD1883 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 13.64  LDD1883 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.06  LDD1883 
Carboxypeptidase D (CPD) LDTP01372 14.03  LDD1883 
Delta(24)-sterol reductase (DHCR24) LDTP06375 44.63  LDD1883 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 5.28  LDD1883 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 5.98  LDD1883 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 14.32  LDD1883 
Ephrin type-A receptor 7 (EPHA7) LDTP06370 6.54  LDD1883 
Exonuclease 1 (EXO1) LDTP13751 7.62  LDD1883 
Gamma-glutamyl hydrolase (GGH) LDTP09886 9.65  LDD1883 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 6.59  LDD1883 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 5.74  LDD1883 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 19.97  LDD1883 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 14.52  LDD1883 
Lysosomal acid phosphatase (ACP2) LDTP02539 11.00  LDD1883 
Lysosomal alpha-glucosidase (GAA) LDTP02486 13.83  LDD1883 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 6.02  LDD1883 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 8.51  LDD1883 
Lysosomal protective protein (CTSA) LDTP02505 9.06  LDD1883 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 23.26  LDD1883 
Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial (ALDH6A1) LDTP05346 6.82  LDD1883 
Multidrug resistance-associated protein 1 (ABCC1) LDTP03671 4.92  LDD1883 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 24.25  LDD1883 
NADH dehydrogenase 1 alpha subcomplex subunit 7 (NDUFA7) LDTP01518 6.45  LDD1883 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 13.83  LDD1883 
Phospholipase A2 group XV (PLA2G15) LDTP09088 7.36  LDD1883 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 20.39  LDD1883 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 6.15  LDD1883 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.23  LDD1883 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 6.50  LDD1883 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 21.56  LDD1883 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 30.70  LDD1883 
Ribonuclease T2 (RNASET2) LDTP00316 19.03  LDD1883 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 11.88  LDD1883 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 22.01  LDD1883 
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⏷ Show the Full List of 45 Enzyme
31 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 26.54  LDD1883 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 7.73  LDD1883 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 18.64  LDD1883 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 10.27  LDD1883 
H(+)/Cl(-) exchange transporter 6 (CLCN6) LDTP04462 5.17  LDD1883 
Integral membrane protein 2C (ITM2C) LDTP12451 9.58  LDD1883 
Integrin alpha-V (ITGAV) LDTP02166 6.59  LDD1883 
Lysosome membrane protein 2 (SCARB2) LDTP06034 13.36  LDD1883 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 9.19  LDD1883 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 14.83  LDD1883 
Metal cation symporter ZIP14 (SLC39A14) LDTP06293 5.06  LDD1883 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 14.03  LDD1883 
Neuropilin-1 (NRP1) LDTP00433 5.98  LDD1883 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 6.96  LDD1883 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 8.88  LDD1883 
Prosaposin (PSAP) LDTP02215 30.70  LDD1883 
Protein FAM8A1 (FAM8A1) LDTP16190 7.57  LDD1883 
Protein GPR107 (GPR107) LDTP07236 6.32  LDD1883 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.36  LDD1883 
Slit homolog 2 protein (SLIT2) LDTP01427 7.16  LDD1883 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 4.92  LDD1883 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.66  LDD1883 
Stomatin (STOM) LDTP03380 7.46  LDD1883 
Surfeit locus protein 4 (SURF4) LDTP00592 6.63  LDD1883 
Syntenin-1 (SDCBP) LDTP00310 10.20  LDD1883 
Tetraspanin-3 (TSPAN3) LDTP16813 14.72  LDD1883 
Transferrin receptor protein 1 (TFRC) LDTP01969 13.09  LDD1883 
Transmembrane protein 59 (TMEM59) LDTP11406 21.71  LDD1883 
Transmembrane protein 87A (TMEM87A) LDTP15481 7.57  LDD1883 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 7.67  LDD1883 
Vang-like protein 1 (VANGL1) LDTP09288 5.43  LDD1883 
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⏷ Show the Full List of 31 Transporter and channel
4 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 7.78  LDD1883 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 5.90  LDD1883 
Junctional adhesion molecule A (F11R) LDTP14203 4.92  LDD1883 
Roundabout homolog 1 (ROBO1) LDTP14280 5.03  LDD1883 
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26 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 12.91  LDD1883 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.78  LDD1883 
Calcium-binding and coiled-coil domain-containing protein 2 (CALCOCO2) LDTP05764 8.63  LDD1883 
Calmodulin-3 (CALM3) LDTP02443 5.78  LDD1883 
Calumenin (CALU) LDTP00887 5.06  LDD1883 
CD320 antigen (CD320) LDTP12352 7.57  LDD1883 
DnaJ homolog subfamily B member 11 (DNAJB11) LDTP13152 5.10  LDD1883 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 18.25  LDD1883 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 18.90  LDD1883 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 9.19  LDD1883 
Ferritin light chain (FTL) LDTP01973 14.52  LDD1883 
Galectin-3-binding protein (LGALS3BP) LDTP05558 16.80  LDD1883 
Ganglioside GM2 activator (GM2A) LDTP02927 13.74  LDD1883 
Golgi apparatus protein 1 (GLG1) LDTP09920 7.46  LDD1883 
Lethal(3)malignant brain tumor-like protein 2 (L3MBTL2) LDTP10023 16.80  LDD1883 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 17.51  LDD1883 
Nicastrin (NCSTN) LDTP09787 10.13  LDD1883 
Protein unc-119 homolog B (UNC119B) LDTP00105 5.98  LDD1883 
Protocadherin Fat 1 (FAT1) LDTP06134 12.21  LDD1883 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 6.45  LDD1883 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 8.28  LDD1883 
Tetraspanin-6 (TSPAN6) LDTP14458 10.78  LDD1883 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 14.42  LDD1883 
Trophoblast glycoprotein (TPBG) LDTP05960 9.00  LDD1883 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 5.17  LDD1883 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 5.74  LDD1883 
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⏷ Show the Full List of 26 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
 LDD1883 
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