Details of the Probe

General Information of Probe

Probe ID
LDPC0531
Probe Name
C302
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 407.522
Lipid-water partition coefficient (xlogp) 1.7148
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H29N7O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c(nnc(N4C([H])([H])C5([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C5([H])C4([H])[H])c3[H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C22H29N7O/c1-3-4-7-22(25-26-22)8-5-21(30)28-9-6-19-16(13-28)10-20(24-23-19)29-14-17-11-27(2)12-18(17)15-29/h1,10,17-18H,4-9,11-15H2,2H3/t17-,18+
InChIKey
QEMKMQAEFVNXLE-HDICACEKSA-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 15.03  LDD1971 
Acid ceramidase (ASAH1) LDTP05905 5.31  LDD1971 
Alpha-galactosidase A (GLA) LDTP02141 13.93  LDD1971 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.06  LDD1971 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 9.99  LDD1971 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 6.59  LDD1971 
Beta-galactosidase (GLB1) LDTP02837 8.51  LDD1971 
Beta-galactosidase-1-like protein 2 (GLB1L2) LDTP17633 5.70  LDD1971 
Beta-glucuronidase (GUSB) LDTP02260 6.73  LDD1971 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 9.51  LDD1971 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 7.73  LDD1971 
Beta-mannosidase (MANBA) LDTP00282 8.34  LDD1971 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 17.39  LDD1971 
Carboxypeptidase D (CPD) LDTP01372 13.93  LDD1971 
Cathepsin B (CTSB) LDTP02223 31.56  LDD1971 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 10.48  LDD1971 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.45  LDD1971 
Di-N-acetylchitobiase (CTBS) LDTP14801 14.52  LDD1971 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 6.28  LDD1971 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 18.64  LDD1971 
Exonuclease 1 (EXO1) LDTP13751 8.06  LDD1971 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.36  LDD1971 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 11.71  LDD1971 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 13.64  LDD1971 
Ketosamine-3-kinase (FN3KRP) LDTP16025 5.17  LDD1971 
Lactadherin (MFGE8) LDTP05561 11.88  LDD1971 
Legumain (LGMN) LDTP10888 8.06  LDD1971 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 19.03  LDD1971 
Lysosomal acid phosphatase (ACP2) LDTP02539 8.69  LDD1971 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.65  LDD1971 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.28  LDD1971 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.10  LDD1971 
Lysosomal protective protein (CTSA) LDTP02505 6.54  LDD1971 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 9.06  LDD1971 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 10.63  LDD1971 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.25  LDD1971 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.06  LDD1971 
Phosphorylase b kinase regulatory subunit beta (PHKB) LDTP09984 5.24  LDD1971 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 12.73  LDD1971 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 8.00  LDD1971 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 11.96  LDD1971 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 24.08  LDD1971 
Ribonuclease T2 (RNASET2) LDTP00316 12.38  LDD1971 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.62  LDD1971 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.11  LDD1971 
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⏷ Show the Full List of 45 Enzyme
18 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 13.18  LDD1971 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 11.55  LDD1971 
Integral membrane protein 2C (ITM2C) LDTP12451 14.52  LDD1971 
Low-density lipoprotein receptor (LDLR) LDTP01829 11.47  LDD1971 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 5.70  LDD1971 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.51  LDD1971 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 8.11  LDD1971 
Neuropilin-1 (NRP1) LDTP00433 6.68  LDD1971 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 13.09  LDD1971 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 11.31  LDD1971 
Prosaposin (PSAP) LDTP02215 21.26  LDD1971 
Protein tweety homolog 3 (TTYH3) LDTP11615 7.01  LDD1971 
Slit homolog 2 protein (SLIT2) LDTP01427 5.62  LDD1971 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.41  LDD1971 
Sortilin (SORT1) LDTP10885 15.03  LDD1971 
Stomatin (STOM) LDTP03380 5.46  LDD1971 
Surfeit locus protein 4 (SURF4) LDTP00592 6.77  LDD1971 
Transferrin receptor protein 1 (TFRC) LDTP01969 8.57  LDD1971 
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⏷ Show the Full List of 18 Transporter and channel
3 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 5.70  LDD1971 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 5.31  LDD1971 
Junctional adhesion molecule A (F11R) LDTP14203 6.82  LDD1971 
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25 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
55 kDa erythrocyte membrane protein (MPP1) LDTP05233 11.63  LDD1971 
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 15.24  LDD1971 
C-type mannose receptor 2 (MRC2) LDTP13114 11.24  LDD1971 
Calumenin (CALU) LDTP00887 6.06  LDD1971 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 6.23  LDD1971 
Collectin-12 (COLEC12) LDTP07031 10.70  LDD1971 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 5.94  LDD1971 
Galectin-3-binding protein (LGALS3BP) LDTP05558 8.34  LDD1971 
Ganglioside GM2 activator (GM2A) LDTP02927 9.85  LDD1971 
Golgi apparatus protein 1 (GLG1) LDTP09920 6.36  LDD1971 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 9.58  LDD1971 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.26  LDD1971 
Neuferricin (CYB5D2) LDTP15623 10.34  LDD1971 
Nicastrin (NCSTN) LDTP09787 7.06  LDD1971 
Nucleobindin-2 (NUCB2) LDTP05160 5.17  LDD1971 
Protein CREG1 (CREG1) LDTP01279 15.67  LDD1971 
Protein CutA (CUTA) LDTP01075 11.96  LDD1971 
Reticulocalbin-2 (RCN2) LDTP06097 8.75  LDD1971 
RNA-binding motif protein, X chromosome (RBMX) LDTP03850 5.70  LDD1971 
RNA-binding protein FUS (FUS) LDTP03775 5.35  LDD1971 
Survival of motor neuron-related-splicing factor 30 (SMNDC1) LDTP01362 5.50  LDD1971 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 8.63  LDD1971 
Tetraspanin-6 (TSPAN6) LDTP14458 5.70  LDD1971 
Trophoblast glycoprotein (TPBG) LDTP05960 7.46  LDD1971 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 10.27  LDD1971 
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⏷ Show the Full List of 25 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
 LDD1971 
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