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

90 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 15.03  LDD1971 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 15.03  LDD1971 
Acid ceramidase (ASAH1) LDTP05905 5.31  LDD1971 
Acid ceramidase (ASAH1) LDTP05905 5.31  LDD1971 
Alpha-galactosidase A (GLA) LDTP02141 13.93  LDD1971 
Alpha-galactosidase A (GLA) LDTP02141 13.93  LDD1971 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.06  LDD1971 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 8.06  LDD1971 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 9.99  LDD1971 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 9.99  LDD1971 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 6.59  LDD1971 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 6.59  LDD1971 
Beta-galactosidase (GLB1) LDTP02837 8.51  LDD1971 
Beta-galactosidase (GLB1) LDTP02837 8.51  LDD1971 
Beta-galactosidase-1-like protein 2 (GLB1L2) LDTP17633 5.70  LDD1971 
Beta-galactosidase-1-like protein 2 (GLB1L2) LDTP17633 5.70  LDD1971 
Beta-glucuronidase (GUSB) LDTP02260 6.73  LDD1971 
Beta-glucuronidase (GUSB) LDTP02260 6.73  LDD1971 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 9.51  LDD1971 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 9.51  LDD1971 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 7.73  LDD1971 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 7.73  LDD1971 
Beta-mannosidase (MANBA) LDTP00282 8.34  LDD1971 
Beta-mannosidase (MANBA) LDTP00282 8.34  LDD1971 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 17.39  LDD1971 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 17.39  LDD1971 
Carboxypeptidase D (CPD) LDTP01372 13.93  LDD1971 
Carboxypeptidase D (CPD) LDTP01372 13.93  LDD1971 
Cathepsin B (CTSB) LDTP02223 31.56  LDD1971 
Cathepsin B (CTSB) LDTP02223 31.56  LDD1971 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 10.48  LDD1971 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 10.48  LDD1971 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.45  LDD1971 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.45  LDD1971 
Di-N-acetylchitobiase (CTBS) LDTP14801 14.52  LDD1971 
Di-N-acetylchitobiase (CTBS) LDTP14801 14.52  LDD1971 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 6.28  LDD1971 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 6.28  LDD1971 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 18.64  LDD1971 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 18.64  LDD1971 
Exonuclease 1 (EXO1) LDTP13751 8.06  LDD1971 
Exonuclease 1 (EXO1) LDTP13751 8.06  LDD1971 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.36  LDD1971 
Gamma-glutamyl hydrolase (GGH) LDTP09886 6.36  LDD1971 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 11.71  LDD1971 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 11.71  LDD1971 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 13.64  LDD1971 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 13.64  LDD1971 
Ketosamine-3-kinase (FN3KRP) LDTP16025 5.17  LDD1971 
Ketosamine-3-kinase (FN3KRP) LDTP16025 5.17  LDD1971 
Lactadherin (MFGE8) LDTP05561 11.88  LDD1971 
Lactadherin (MFGE8) LDTP05561 11.88  LDD1971 
Legumain (LGMN) LDTP10888 8.06  LDD1971 
Legumain (LGMN) LDTP10888 8.06  LDD1971 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 19.03  LDD1971 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 19.03  LDD1971 
Lysosomal acid phosphatase (ACP2) LDTP02539 8.69  LDD1971 
Lysosomal acid phosphatase (ACP2) LDTP02539 8.69  LDD1971 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.65  LDD1971 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.65  LDD1971 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.28  LDD1971 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.28  LDD1971 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.10  LDD1971 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.10  LDD1971 
Lysosomal protective protein (CTSA) LDTP02505 6.54  LDD1971 
Lysosomal protective protein (CTSA) LDTP02505 6.54  LDD1971 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 9.06  LDD1971 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 9.06  LDD1971 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 10.63  LDD1971 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 10.63  LDD1971 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.25  LDD1971 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.25  LDD1971 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.06  LDD1971 
Phospholipase A2 group XV (PLA2G15) LDTP09088 6.06  LDD1971 
Phosphorylase b kinase regulatory subunit beta (PHKB) LDTP09984 5.24  LDD1971 
Phosphorylase b kinase regulatory subunit beta (PHKB) LDTP09984 5.24  LDD1971 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 12.73  LDD1971 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 12.73  LDD1971 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 8.00  LDD1971 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 8.00  LDD1971 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 11.96  LDD1971 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 11.96  LDD1971 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 24.08  LDD1971 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 24.08  LDD1971 
Ribonuclease T2 (RNASET2) LDTP00316 12.38  LDD1971 
Ribonuclease T2 (RNASET2) LDTP00316 12.38  LDD1971 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.62  LDD1971 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 5.62  LDD1971 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.11  LDD1971 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 6.11  LDD1971 
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⏷ Show the Full List of 90 Enzyme
36 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 
Amyloid-beta precursor protein (APP) LDTP02071 13.18  LDD1971 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 11.55  LDD1971 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 11.55  LDD1971 
Integral membrane protein 2C (ITM2C) LDTP12451 14.52  LDD1971 
Integral membrane protein 2C (ITM2C) LDTP12451 14.52  LDD1971 
Low-density lipoprotein receptor (LDLR) LDTP01829 11.47  LDD1971 
Low-density lipoprotein receptor (LDLR) LDTP01829 11.47  LDD1971 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 5.70  LDD1971 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 5.70  LDD1971 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.51  LDD1971 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.51  LDD1971 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 8.11  LDD1971 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 8.11  LDD1971 
Neuropilin-1 (NRP1) LDTP00433 6.68  LDD1971 
Neuropilin-1 (NRP1) LDTP00433 6.68  LDD1971 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 13.09  LDD1971 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 13.09  LDD1971 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 11.31  LDD1971 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 11.31  LDD1971 
Prosaposin (PSAP) LDTP02215 21.26  LDD1971 
Prosaposin (PSAP) LDTP02215 21.26  LDD1971 
Protein tweety homolog 3 (TTYH3) LDTP11615 7.01  LDD1971 
Protein tweety homolog 3 (TTYH3) LDTP11615 7.01  LDD1971 
Slit homolog 2 protein (SLIT2) LDTP01427 5.62  LDD1971 
Slit homolog 2 protein (SLIT2) LDTP01427 5.62  LDD1971 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.41  LDD1971 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 6.41  LDD1971 
Sortilin (SORT1) LDTP10885 15.03  LDD1971 
Sortilin (SORT1) LDTP10885 15.03  LDD1971 
Stomatin (STOM) LDTP03380 5.46  LDD1971 
Stomatin (STOM) LDTP03380 5.46  LDD1971 
Surfeit locus protein 4 (SURF4) LDTP00592 6.77  LDD1971 
Surfeit locus protein 4 (SURF4) LDTP00592 6.77  LDD1971 
Transferrin receptor protein 1 (TFRC) LDTP01969 8.57  LDD1971 
Transferrin receptor protein 1 (TFRC) LDTP01969 8.57  LDD1971 
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⏷ Show the Full List of 36 Transporter and channel
6 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, A alpha chain (HLA-A) LDTP02040 5.70  LDD1971 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 5.31  LDD1971 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 5.31  LDD1971 
Junctional adhesion molecule A (F11R) LDTP14203 6.82  LDD1971 
Junctional adhesion molecule A (F11R) LDTP14203 6.82  LDD1971 
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⏷ Show the Full List of 6 Immunoglobulin
50 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
55 kDa erythrocyte membrane protein (MPP1) LDTP05233 11.63  LDD1971 
55 kDa erythrocyte membrane protein (MPP1) LDTP05233 11.63  LDD1971 
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 15.24  LDD1971 
Amyloid beta precursor like protein 2 (APLP2) LDTP05491 15.24  LDD1971 
C-type mannose receptor 2 (MRC2) LDTP13114 11.24  LDD1971 
C-type mannose receptor 2 (MRC2) LDTP13114 11.24  LDD1971 
Calumenin (CALU) LDTP00887 6.06  LDD1971 
Calumenin (CALU) LDTP00887 6.06  LDD1971 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 6.23  LDD1971 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 6.23  LDD1971 
Collectin-12 (COLEC12) LDTP07031 10.70  LDD1971 
Collectin-12 (COLEC12) LDTP07031 10.70  LDD1971 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 5.94  LDD1971 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 5.94  LDD1971 
Galectin-3-binding protein (LGALS3BP) LDTP05558 8.34  LDD1971 
Galectin-3-binding protein (LGALS3BP) LDTP05558 8.34  LDD1971 
Ganglioside GM2 activator (GM2A) LDTP02927 9.85  LDD1971 
Ganglioside GM2 activator (GM2A) LDTP02927 9.85  LDD1971 
Golgi apparatus protein 1 (GLG1) LDTP09920 6.36  LDD1971 
Golgi apparatus protein 1 (GLG1) LDTP09920 6.36  LDD1971 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 9.58  LDD1971 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 9.58  LDD1971 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.26  LDD1971 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 7.26  LDD1971 
Neuferricin (CYB5D2) LDTP15623 10.34  LDD1971 
Neuferricin (CYB5D2) LDTP15623 10.34  LDD1971 
Nicastrin (NCSTN) LDTP09787 7.06  LDD1971 
Nicastrin (NCSTN) LDTP09787 7.06  LDD1971 
Nucleobindin-2 (NUCB2) LDTP05160 5.17  LDD1971 
Nucleobindin-2 (NUCB2) LDTP05160 5.17  LDD1971 
Protein CREG1 (CREG1) LDTP01279 15.67  LDD1971 
Protein CREG1 (CREG1) LDTP01279 15.67  LDD1971 
Protein CutA (CUTA) LDTP01075 11.96  LDD1971 
Protein CutA (CUTA) LDTP01075 11.96  LDD1971 
Reticulocalbin-2 (RCN2) LDTP06097 8.75  LDD1971 
Reticulocalbin-2 (RCN2) LDTP06097 8.75  LDD1971 
RNA-binding motif protein, X chromosome (RBMX) LDTP03850 5.70  LDD1971 
RNA-binding motif protein, X chromosome (RBMX) LDTP03850 5.70  LDD1971 
RNA-binding protein FUS (FUS) LDTP03775 5.35  LDD1971 
RNA-binding protein FUS (FUS) LDTP03775 5.35  LDD1971 
Survival of motor neuron-related-splicing factor 30 (SMNDC1) LDTP01362 5.50  LDD1971 
Survival of motor neuron-related-splicing factor 30 (SMNDC1) LDTP01362 5.50  LDD1971 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 8.63  LDD1971 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 8.63  LDD1971 
Tetraspanin-6 (TSPAN6) LDTP14458 5.70  LDD1971 
Tetraspanin-6 (TSPAN6) LDTP14458 5.70  LDD1971 
Trophoblast glycoprotein (TPBG) LDTP05960 7.46  LDD1971 
Trophoblast glycoprotein (TPBG) LDTP05960 7.46  LDD1971 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 10.27  LDD1971 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 10.27  LDD1971 
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⏷ Show the Full List of 50 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