Details of the Probe

General Information of Probe

Probe ID
LDPC0457
Probe Name
C223
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 382.508
Lipid-water partition coefficient (xlogp) 3.55
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H30N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2([H])C([H])(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])N(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C22H30N4O2/c1-4-5-13-22(24-25-22)14-12-20(27)23-16-18-7-6-15-26(2)21(18)17-8-10-19(28-3)11-9-17/h1,8-11,18,21H,5-7,12-16H2,2-3H3,(H,23,27)/t18-,21+/m1/s1
InChIKey
ABZFYTMKECPTOC-NQIIRXRSSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

86 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 11.16  LDD1897 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 11.16  LDD1897 
Acid ceramidase (ASAH1) LDTP05905 9.65  LDD1897 
Acid ceramidase (ASAH1) LDTP05905 9.65  LDD1897 
Alpha-galactosidase A (GLA) LDTP02141 16.56  LDD1897 
Alpha-galactosidase A (GLA) LDTP02141 16.56  LDD1897 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.32  LDD1897 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.32  LDD1897 
Arylsulfatase A (ARSA) LDTP02776 10.70  LDD1897 
Arylsulfatase A (ARSA) LDTP02776 10.70  LDD1897 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 7.16  LDD1897 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 7.16  LDD1897 
Beta-galactosidase (GLB1) LDTP02837 9.99  LDD1897 
Beta-galactosidase (GLB1) LDTP02837 9.99  LDD1897 
Beta-glucuronidase (GUSB) LDTP02260 10.85  LDD1897 
Beta-glucuronidase (GUSB) LDTP02260 10.85  LDD1897 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 15.67  LDD1897 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 15.67  LDD1897 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 10.78  LDD1897 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 10.78  LDD1897 
Beta-mannosidase (MANBA) LDTP00282 14.83  LDD1897 
Beta-mannosidase (MANBA) LDTP00282 14.83  LDD1897 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 14.93  LDD1897 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 14.93  LDD1897 
Carboxypeptidase D (CPD) LDTP01372 10.78  LDD1897 
Carboxypeptidase D (CPD) LDTP01372 10.78  LDD1897 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.89  LDD1897 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.89  LDD1897 
Cathepsin Z (CTSZ) LDTP13147 9.78  LDD1897 
Cathepsin Z (CTSZ) LDTP13147 9.78  LDD1897 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 13.45  LDD1897 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 13.45  LDD1897 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 14.93  LDD1897 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 14.93  LDD1897 
Gamma-glutamyl hydrolase (GGH) LDTP09886 10.06  LDD1897 
Gamma-glutamyl hydrolase (GGH) LDTP09886 10.06  LDD1897 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 5.94  LDD1897 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 5.94  LDD1897 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 18.64  LDD1897 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 18.64  LDD1897 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 9.99  LDD1897 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 9.99  LDD1897 
Lysosomal acid lipase/cholesteryl ester hydrolase (LIPA) LDTP03858 6.73  LDD1897 
Lysosomal acid lipase/cholesteryl ester hydrolase (LIPA) LDTP03858 6.73  LDD1897 
Lysosomal acid phosphatase (ACP2) LDTP02539 14.03  LDD1897 
Lysosomal acid phosphatase (ACP2) LDTP02539 14.03  LDD1897 
Lysosomal alpha-glucosidase (GAA) LDTP02486 16.00  LDD1897 
Lysosomal alpha-glucosidase (GAA) LDTP02486 16.00  LDD1897 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.54  LDD1897 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.54  LDD1897 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.62  LDD1897 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.62  LDD1897 
Lysosomal protective protein (CTSA) LDTP02505 8.46  LDD1897 
Lysosomal protective protein (CTSA) LDTP02505 8.46  LDD1897 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.74  LDD1897 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.74  LDD1897 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 37.53  LDD1897 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 37.53  LDD1897 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.58  LDD1897 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.58  LDD1897 
N-sulphoglucosamine sulphohydrolase (SGSH) LDTP04452 9.45  LDD1897 
N-sulphoglucosamine sulphohydrolase (SGSH) LDTP04452 9.45  LDD1897 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 18.13  LDD1897 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 18.13  LDD1897 
Peptidyl-glycine alpha-amidating monooxygenase (PAM) LDTP02976 13.45  LDD1897 
Peptidyl-glycine alpha-amidating monooxygenase (PAM) LDTP02976 13.45  LDD1897 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.31  LDD1897 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.31  LDD1897 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 21.86  LDD1897 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 21.86  LDD1897 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.69  LDD1897 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.69  LDD1897 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 30.27  LDD1897 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 30.27  LDD1897 
Receptor-type tyrosine-protein phosphatase S (PTPRS) LDTP05831 5.46  LDD1897 
Receptor-type tyrosine-protein phosphatase S (PTPRS) LDTP05831 5.46  LDD1897 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 22.01  LDD1897 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 22.01  LDD1897 
Ribonuclease T2 (RNASET2) LDTP00316 16.11  LDD1897 
Ribonuclease T2 (RNASET2) LDTP00316 16.11  LDD1897 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 20.97  LDD1897 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 20.97  LDD1897 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 9.92  LDD1897 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 9.92  LDD1897 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 19.84  LDD1897 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 19.84  LDD1897 
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⏷ Show the Full List of 86 Enzyme
60 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 13.64  LDD1897 
Amyloid-beta precursor protein (APP) LDTP02071 13.64  LDD1897 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 9.99  LDD1897 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 9.99  LDD1897 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 4.92  LDD1897 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 4.92  LDD1897 
Integral membrane protein 2C (ITM2C) LDTP12451 9.51  LDD1897 
Integral membrane protein 2C (ITM2C) LDTP12451 9.51  LDD1897 
Integrin alpha-V (ITGAV) LDTP02166 5.50  LDD1897 
Integrin alpha-V (ITGAV) LDTP02166 5.50  LDD1897 
Low-density lipoprotein receptor (LDLR) LDTP01829 9.13  LDD1897 
Low-density lipoprotein receptor (LDLR) LDTP01829 9.13  LDD1897 
Low-density lipoprotein receptor-related protein 2 (LRP2) LDTP05218 6.87  LDD1897 
Low-density lipoprotein receptor-related protein 2 (LRP2) LDTP05218 6.87  LDD1897 
Lysosome membrane protein 2 (SCARB2) LDTP06034 17.75  LDD1897 
Lysosome membrane protein 2 (SCARB2) LDTP06034 17.75  LDD1897 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 10.78  LDD1897 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 10.78  LDD1897 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 23.75  LDD1897 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 23.75  LDD1897 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.82  LDD1897 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.82  LDD1897 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 22.63  LDD1897 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 22.63  LDD1897 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 9.45  LDD1897 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 9.45  LDD1897 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 16.22  LDD1897 
NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 16.22  LDD1897 
Podocalyxin (PODXL) LDTP00321 10.34  LDD1897 
Podocalyxin (PODXL) LDTP00321 10.34  LDD1897 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 7.62  LDD1897 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 7.62  LDD1897 
Prosaposin (PSAP) LDTP02215 22.63  LDD1897 
Prosaposin (PSAP) LDTP02215 22.63  LDD1897 
Protein GPR107 (GPR107) LDTP07236 5.90  LDD1897 
Protein GPR107 (GPR107) LDTP07236 5.90  LDD1897 
Protein tweety homolog 3 (TTYH3) LDTP11615 20.82  LDD1897 
Protein tweety homolog 3 (TTYH3) LDTP11615 20.82  LDD1897 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.11  LDD1897 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 8.11  LDD1897 
Sodium-coupled neutral amino acid symporter 2 (SLC38A2) LDTP10731 5.17  LDD1897 
Sodium-coupled neutral amino acid symporter 2 (SLC38A2) LDTP10731 5.17  LDD1897 
Sodium/potassium-transporting ATPase subunit beta-1 (ATP1B1) LDTP02068 5.82  LDD1897 
Sodium/potassium-transporting ATPase subunit beta-1 (ATP1B1) LDTP02068 5.82  LDD1897 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.43  LDD1897 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.43  LDD1897 
Stomatin (STOM) LDTP03380 8.75  LDD1897 
Stomatin (STOM) LDTP03380 8.75  LDD1897 
Surfeit locus protein 4 (SURF4) LDTP00592 5.74  LDD1897 
Surfeit locus protein 4 (SURF4) LDTP00592 5.74  LDD1897 
Tetraspanin-3 (TSPAN3) LDTP16813 23.75  LDD1897 
Tetraspanin-3 (TSPAN3) LDTP16813 23.75  LDD1897 
Transferrin receptor protein 1 (TFRC) LDTP01969 7.06  LDD1897 
Transferrin receptor protein 1 (TFRC) LDTP01969 7.06  LDD1897 
Transmembrane protein 59 (TMEM59) LDTP11406 6.28  LDD1897 
Transmembrane protein 59 (TMEM59) LDTP11406 6.28  LDD1897 
Transmembrane protein 87A (TMEM87A) LDTP15481 8.63  LDD1897 
Transmembrane protein 87A (TMEM87A) LDTP15481 8.63  LDD1897 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.59  LDD1897 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.59  LDD1897 
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⏷ Show the Full List of 60 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Telomeric repeat-binding factor 2-interacting protein 1 (TERF2IP) LDTP12820 6.73  LDD1897 
Telomeric repeat-binding factor 2-interacting protein 1 (TERF2IP) LDTP12820 6.73  LDD1897 
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8 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 5.35  LDD1897 
HLA class I histocompatibility antigen, A alpha chain (HLA-A) LDTP02040 5.35  LDD1897 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 16.34  LDD1897 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 16.34  LDD1897 
Leukocyte surface antigen CD47 (CD47) LDTP05572 5.24  LDD1897 
Leukocyte surface antigen CD47 (CD47) LDTP05572 5.24  LDD1897 
Neogenin (NEO1) LDTP09907 18.51  LDD1897 
Neogenin (NEO1) LDTP09907 18.51  LDD1897 
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⏷ Show the Full List of 8 Immunoglobulin
48 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.19  LDD1897 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.19  LDD1897 
C-type mannose receptor 2 (MRC2) LDTP13114 6.82  LDD1897 
C-type mannose receptor 2 (MRC2) LDTP13114 6.82  LDD1897 
CD109 antigen (CD109) LDTP07760 6.15  LDD1897 
CD109 antigen (CD109) LDTP07760 6.15  LDD1897 
CD320 antigen (CD320) LDTP12352 7.36  LDD1897 
CD320 antigen (CD320) LDTP12352 7.36  LDD1897 
Collectin-12 (COLEC12) LDTP07031 10.56  LDD1897 
Collectin-12 (COLEC12) LDTP07031 10.56  LDD1897 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 7.89  LDD1897 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 7.89  LDD1897 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 9.00  LDD1897 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 9.00  LDD1897 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 5.86  LDD1897 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 5.86  LDD1897 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 5.62  LDD1897 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 5.62  LDD1897 
Galectin-3-binding protein (LGALS3BP) LDTP05558 12.55  LDD1897 
Galectin-3-binding protein (LGALS3BP) LDTP05558 12.55  LDD1897 
Ganglioside GM2 activator (GM2A) LDTP02927 14.42  LDD1897 
Ganglioside GM2 activator (GM2A) LDTP02927 14.42  LDD1897 
Golgi apparatus protein 1 (GLG1) LDTP09920 7.41  LDD1897 
Golgi apparatus protein 1 (GLG1) LDTP09920 7.41  LDD1897 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 6.45  LDD1897 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 6.45  LDD1897 
Hyccin (HYCC1) LDTP11463 6.02  LDD1897 
Hyccin (HYCC1) LDTP11463 6.02  LDD1897 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 7.06  LDD1897 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 7.06  LDD1897 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 21.56  LDD1897 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 21.56  LDD1897 
Nicastrin (NCSTN) LDTP09787 9.25  LDD1897 
Nicastrin (NCSTN) LDTP09787 9.25  LDD1897 
Protein GOLM2 (GOLM2) LDTP15115 12.64  LDD1897 
Protein GOLM2 (GOLM2) LDTP15115 12.64  LDD1897 
Reticulocalbin-2 (RCN2) LDTP06097 4.92  LDD1897 
Reticulocalbin-2 (RCN2) LDTP06097 4.92  LDD1897 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 17.39  LDD1897 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 17.39  LDD1897 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.59  LDD1897 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.59  LDD1897 
Tetraspanin-6 (TSPAN6) LDTP14458 13.09  LDD1897 
Tetraspanin-6 (TSPAN6) LDTP14458 13.09  LDD1897 
Trophoblast glycoprotein (TPBG) LDTP05960 7.01  LDD1897 
Trophoblast glycoprotein (TPBG) LDTP05960 7.01  LDD1897 
Vacuolar protein sorting-associated protein 37C (VPS37C) LDTP00071 6.19  LDD1897 
Vacuolar protein sorting-associated protein 37C (VPS37C) LDTP00071 6.19  LDD1897 
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⏷ Show the Full List of 48 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
 LDD1897 
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