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

43 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 11.16  LDD1897 
Acid ceramidase (ASAH1) LDTP05905 9.65  LDD1897 
Alpha-galactosidase A (GLA) LDTP02141 16.56  LDD1897 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.32  LDD1897 
Arylsulfatase A (ARSA) LDTP02776 10.70  LDD1897 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 7.16  LDD1897 
Beta-galactosidase (GLB1) LDTP02837 9.99  LDD1897 
Beta-glucuronidase (GUSB) LDTP02260 10.85  LDD1897 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 15.67  LDD1897 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 10.78  LDD1897 
Beta-mannosidase (MANBA) LDTP00282 14.83  LDD1897 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 14.93  LDD1897 
Carboxypeptidase D (CPD) LDTP01372 10.78  LDD1897 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.89  LDD1897 
Cathepsin Z (CTSZ) LDTP13147 9.78  LDD1897 
Dipeptidyl peptidase 1 (CTSC) LDTP04572 13.45  LDD1897 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 14.93  LDD1897 
Gamma-glutamyl hydrolase (GGH) LDTP09886 10.06  LDD1897 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 5.94  LDD1897 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 18.64  LDD1897 
Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 9.99  LDD1897 
Lysosomal acid lipase/cholesteryl ester hydrolase (LIPA) LDTP03858 6.73  LDD1897 
Lysosomal acid phosphatase (ACP2) LDTP02539 14.03  LDD1897 
Lysosomal alpha-glucosidase (GAA) LDTP02486 16.00  LDD1897 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 5.54  LDD1897 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.62  LDD1897 
Lysosomal protective protein (CTSA) LDTP02505 8.46  LDD1897 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.74  LDD1897 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 37.53  LDD1897 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 5.58  LDD1897 
N-sulphoglucosamine sulphohydrolase (SGSH) LDTP04452 9.45  LDD1897 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 18.13  LDD1897 
Peptidyl-glycine alpha-amidating monooxygenase (PAM) LDTP02976 13.45  LDD1897 
Phospholipase A2 group XV (PLA2G15) LDTP09088 11.31  LDD1897 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 21.86  LDD1897 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 8.69  LDD1897 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 30.27  LDD1897 
Receptor-type tyrosine-protein phosphatase S (PTPRS) LDTP05831 5.46  LDD1897 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 22.01  LDD1897 
Ribonuclease T2 (RNASET2) LDTP00316 16.11  LDD1897 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 20.97  LDD1897 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 9.92  LDD1897 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 19.84  LDD1897 
------------------------------------------------------------------------------------
⏷ Show the Full List of 43 Enzyme
30 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 
Cation-independent mannose-6-phosphate receptor (IGF2R) LDTP02586 9.99  LDD1897 
H(+)/Cl(-) exchange transporter 3 (CLCN3) LDTP04459 4.92  LDD1897 
Integral membrane protein 2C (ITM2C) LDTP12451 9.51  LDD1897 
Integrin alpha-V (ITGAV) LDTP02166 5.50  LDD1897 
Low-density lipoprotein receptor (LDLR) LDTP01829 9.13  LDD1897 
Low-density lipoprotein receptor-related protein 2 (LRP2) LDTP05218 6.87  LDD1897 
Lysosome membrane protein 2 (SCARB2) LDTP06034 17.75  LDD1897 
Lysosome-associated membrane glycoprotein 1 (LAMP1) LDTP02562 10.78  LDD1897 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 23.75  LDD1897 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 5.82  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 2 (NPC2) LDTP04940 16.22  LDD1897 
Podocalyxin (PODXL) LDTP00321 10.34  LDD1897 
Prolow-density lipoprotein receptor-related protein 1 (LRP1) LDTP05538 7.62  LDD1897 
Prosaposin (PSAP) LDTP02215 22.63  LDD1897 
Protein GPR107 (GPR107) LDTP07236 5.90  LDD1897 
Protein tweety homolog 3 (TTYH3) LDTP11615 20.82  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/potassium-transporting ATPase subunit beta-1 (ATP1B1) LDTP02068 5.82  LDD1897 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.43  LDD1897 
Stomatin (STOM) LDTP03380 8.75  LDD1897 
Surfeit locus protein 4 (SURF4) LDTP00592 5.74  LDD1897 
Tetraspanin-3 (TSPAN3) LDTP16813 23.75  LDD1897 
Transferrin receptor protein 1 (TFRC) LDTP01969 7.06  LDD1897 
Transmembrane protein 59 (TMEM59) LDTP11406 6.28  LDD1897 
Transmembrane protein 87A (TMEM87A) LDTP15481 8.63  LDD1897 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 6.59  LDD1897 
------------------------------------------------------------------------------------
⏷ Show the Full List of 30 Transporter and channel
1 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 
------------------------------------------------------------------------------------
4 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 
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 16.34  LDD1897 
Leukocyte surface antigen CD47 (CD47) LDTP05572 5.24  LDD1897 
Neogenin (NEO1) LDTP09907 18.51  LDD1897 
------------------------------------------------------------------------------------
24 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 
C-type mannose receptor 2 (MRC2) LDTP13114 6.82  LDD1897 
CD109 antigen (CD109) LDTP07760 6.15  LDD1897 
CD320 antigen (CD320) LDTP12352 7.36  LDD1897 
Collectin-12 (COLEC12) LDTP07031 10.56  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 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 5.86  LDD1897 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 5.62  LDD1897 
Galectin-3-binding protein (LGALS3BP) LDTP05558 12.55  LDD1897 
Ganglioside GM2 activator (GM2A) LDTP02927 14.42  LDD1897 
Golgi apparatus protein 1 (GLG1) LDTP09920 7.41  LDD1897 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 6.45  LDD1897 
Hyccin (HYCC1) LDTP11463 6.02  LDD1897 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 7.06  LDD1897 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 21.56  LDD1897 
Nicastrin (NCSTN) LDTP09787 9.25  LDD1897 
Protein GOLM2 (GOLM2) LDTP15115 12.64  LDD1897 
Reticulocalbin-2 (RCN2) LDTP06097 4.92  LDD1897 
Seizure 6-like protein 2 (SEZ6L2) LDTP07703 17.39  LDD1897 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.59  LDD1897 
Tetraspanin-6 (TSPAN6) LDTP14458 13.09  LDD1897 
Trophoblast glycoprotein (TPBG) LDTP05960 7.01  LDD1897 
Vacuolar protein sorting-associated protein 37C (VPS37C) LDTP00071 6.19  LDD1897 
------------------------------------------------------------------------------------
⏷ Show the Full List of 24 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