Details of the Probe

General Information of Probe

Probe ID
LDPC0387
Probe Name
C145
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.335
Lipid-water partition coefficient (xlogp) 2.7006
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H15FN6O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c(-n3nnc([H])c3[H])c([H])c([H])c2F)N=N1
InChI
InChI=1S/C16H15FN6O/c1-2-3-7-16(20-21-16)8-6-15(24)19-14-11-12(4-5-13(14)17)23-10-9-18-22-23/h1,4-5,9-11H,3,6-8H2,(H,19,24)
InChIKey
UADQXNBLWOHWKF-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

76 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 23.43  LDD1827 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 11.08  LDD1827 
Adenosine deaminase (ADA) LDTP01803 13.36  LDD1827 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 9.65  LDD1827 
Alpha-galactosidase A (GLA) LDTP02141 9.38  LDD1827 
Antigen peptide transporter 1 (TAP1) LDTP05408 8.51  LDD1827 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 22.16  LDD1827 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 8.46  LDD1827 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 9.00  LDD1827 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.24  LDD1827 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 11.55  LDD1827 
Ceramide synthase 2 (CERS2) LDTP10329 15.24  LDD1827 
DCN1-like protein 4 (DCUN1D4) LDTP09799 8.57  LDD1827 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 13.93  LDD1827 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 9.25  LDD1827 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.55  LDD1827 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 13.83  LDD1827 
Dihydrofolate reductase (DHFR) LDTP01769 8.57  LDD1827 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 22.32  LDD1827 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 8.51  LDD1827 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 8.75  LDD1827 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 17.75  LDD1827 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 13.64  LDD1827 
Epoxide hydrolase 1 (EPHX1) LDTP02175 28.64  LDD1827 
Exonuclease 1 (EXO1) LDTP13751 16.68  LDD1827 
Exosome complex component RRP42 (EXOSC7) LDTP06283 8.40  LDD1827 
Exosome RNA helicase MTR4 (MTREX) LDTP03975 23.10  LDD1827 
Ferrochelatase, mitochondrial (FECH) LDTP03198 12.30  LDD1827 
Gamma-adducin (ADD3) LDTP13204 9.71  LDD1827 
Heme oxygenase 1 (HMOX1) LDTP02359 13.36  LDD1827 
Heme oxygenase 2 (HMOX2) LDTP03540 55.72  LDD1827 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 8.06  LDD1827 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 11.39  LDD1827 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 10.20  LDD1827 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 15.78  LDD1827 
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase (AASDHPPT) LDTP12524 10.27  LDD1827 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 15.24  LDD1827 
Lanosterol synthase (LSS) LDTP04183 11.79  LDD1827 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 15.14  LDD1827 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 11.96  LDD1827 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 11.39  LDD1827 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 26.17  LDD1827 
Lysosomal protective protein (CTSA) LDTP02505 8.63  LDD1827 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 13.83  LDD1827 
Macrophage migration inhibitory factor (MIF) LDTP02713 12.64  LDD1827 
Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial (MCCC2) LDTP12227 18.38  LDD1827 
NAD(P)H-hydrate epimerase (NAXE) LDTP09110 11.08  LDD1827 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.85  LDD1827 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 11.08  LDD1827 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 12.30  LDD1827 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 17.88  LDD1827 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 9.38  LDD1827 
Phospholipase A2 group XV (PLA2G15) LDTP09088 10.06  LDD1827 
Pirin (PIR) LDTP00325 9.32  LDD1827 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 24.08  LDD1827 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 23.26  LDD1827 
Prolyl endopeptidase-like (PREPL) LDTP06849 19.70  LDD1827 
Prostaglandin reductase 2 (PTGR2) LDTP08979 15.35  LDD1827 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 8.28  LDD1827 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 12.30  LDD1827 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 8.28  LDD1827 
Protein O-GlcNAcase (OGA) LDTP00988 10.20  LDD1827 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 15.45  LDD1827 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 19.03  LDD1827 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 15.24  LDD1827 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 10.34  LDD1827 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 16.91  LDD1827 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 10.70  LDD1827 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 8.17  LDD1827 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 13.09  LDD1827 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 17.39  LDD1827 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 13.55  LDD1827 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 8.06  LDD1827 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 11.24  LDD1827 
Ubiquitin carboxyl-terminal hydrolase 47 (USP47) LDTP10495 10.27  LDD1827 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 8.34  LDD1827 
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⏷ Show the Full List of 76 Enzyme
29 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
45 kDa calcium-binding protein (SDF4) LDTP11116 8.69  LDD1827 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 8.17  LDD1827 
H(+)/Cl(-) exchange transporter 6 (CLCN6) LDTP04462 22.01  LDD1827 
Integral membrane protein 2C (ITM2C) LDTP12451 10.13  LDD1827 
Lysosome membrane protein 2 (SCARB2) LDTP06034 27.67  LDD1827 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 30.48  LDD1827 
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 11.08  LDD1827 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 10.41  LDD1827 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 13.18  LDD1827 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 31.12  LDD1827 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 20.82  LDD1827 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 15.03  LDD1827 
Mpv17-like protein 2 (MPV17L2) LDTP14952 20.39  LDD1827 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 44.32  LDD1827 
Protein GPR107 (GPR107) LDTP07236 11.88  LDD1827 
Protein spinster homolog 1 (SPNS1) LDTP11844 8.40  LDD1827 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 9.99  LDD1827 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 15.89  LDD1827 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 18.77  LDD1827 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 25.63  LDD1827 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 15.67  LDD1827 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 9.65  LDD1827 
Surfeit locus protein 4 (SURF4) LDTP00592 9.58  LDD1827 
Tetraspanin-3 (TSPAN3) LDTP16813 8.17  LDD1827 
Transmembrane protein 199 (TMEM199) LDTP08881 9.51  LDD1827 
Transmembrane protein 87A (TMEM87A) LDTP15481 10.78  LDD1827 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 9.25  LDD1827 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 19.29  LDD1827 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 18.13  LDD1827 
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⏷ Show the Full List of 29 Transporter and channel
50 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 8.82  LDD1827 
Apolipoprotein L2 (APOL2) LDTP11076 15.24  LDD1827 
Calumenin (CALU) LDTP00887 9.00  LDD1827 
Centrosomal protein 43 (CEP43) LDTP01652 15.45  LDD1827 
Clustered mitochondria protein homolog (CLUH) LDTP14486 26.72  LDD1827 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 12.47  LDD1827 
Dynactin subunit 4 (DCTN4) LDTP13402 8.57  LDD1827 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 11.00  LDD1827 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 10.20  LDD1827 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 8.28  LDD1827 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 9.19  LDD1827 
Golgi apparatus protein 1 (GLG1) LDTP09920 10.78  LDD1827 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 9.00  LDD1827 
Heme-binding protein 1 (HEBP1) LDTP16078 8.28  LDD1827 
Heterogeneous nuclear ribonucleoprotein D-like (HNRNPDL) LDTP00500 8.75  LDD1827 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 8.22  LDD1827 
Heterogeneous nuclear ribonucleoprotein H (HNRNPH1) LDTP03615 8.75  LDD1827 
Heterogeneous nuclear ribonucleoprotein H2 (HNRNPH2) LDTP04714 8.22  LDD1827 
Heterogeneous nuclear ribonucleoprotein H3 (HNRNPH3) LDTP03614 8.22  LDD1827 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 11.31  LDD1827 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 17.63  LDD1827 
Mdm2-binding protein (MTBP) LDTP15714 13.93  LDD1827 
Mediator of RNA polymerase II transcription subunit 4 (MED4) LDTP12377 10.70  LDD1827 
Microtubule nucleation factor SSNA1 (SSNA1) LDTP00871 10.78  LDD1827 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 11.88  LDD1827 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 8.22  LDD1827 
Neudesin (NENF) LDTP13630 10.06  LDD1827 
Neuferricin (CYB5D2) LDTP15623 9.32  LDD1827 
Nucleobindin-2 (NUCB2) LDTP05160 13.45  LDD1827 
Nucleolar protein 9 (NOP9) LDTP15283 8.57  LDD1827 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 8.57  LDD1827 
Protein FAM114A2 (FAM114A2) LDTP16080 11.55  LDD1827 
Protein misato homolog 1 (MSTO1) LDTP11239 9.25  LDD1827 
Protein SET (SET) LDTP05277 8.46  LDD1827 
Protein unc-119 homolog B (UNC119B) LDTP00105 18.13  LDD1827 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 8.94  LDD1827 
Reticulocalbin-2 (RCN2) LDTP06097 11.79  LDD1827 
RNA-binding motif protein, X chromosome (RBMX) LDTP03850 8.75  LDD1827 
RNA-binding protein 3 (RBM3) LDTP05226 14.03  LDD1827 
RNA-binding protein FUS (FUS) LDTP03775 8.28  LDD1827 
Serine/arginine-rich splicing factor 2 (SRSF2) LDTP05280 9.85  LDD1827 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 8.40  LDD1827 
Testis-expressed protein 264 (TEX264) LDTP14259 8.57  LDD1827 
Tetraspanin-6 (TSPAN6) LDTP14458 8.94  LDD1827 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 9.32  LDD1827 
Tetratricopeptide repeat protein 21B (TTC21B) LDTP08073 8.75  LDD1827 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 41.93  LDD1827 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 11.79  LDD1827 
Ubiquitin-associated protein 2-like (UBAP2L) LDTP06060 9.25  LDD1827 
Vimentin (VIM) LDTP02297 9.58  LDD1827 
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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
 LDD1827 
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