Details of the Probe

General Information of Probe

Probe ID
LDPC0389
Probe Name
C147
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.396
Lipid-water partition coefficient (xlogp) 3.05998
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H20N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])c3c([H])c([H])c(C#N)c([H])c3C([H])([H])C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C19H20N4O/c1-2-3-9-19(22-23-19)10-11-21-18(24)17-6-4-5-15-12-14(13-20)7-8-16(15)17/h1,7-8,12,17H,3-6,9-11H2,(H,21,24)/t17-/m0/s1
InChIKey
ARDAAIFXGFMGLZ-KRWDZBQOSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

88 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 12.21  LDD1829 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 30.06  LDD1829 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 11.16  LDD1829 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 13.18  LDD1829 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 11.16  LDD1829 
Alpha-galactosidase A (GLA) LDTP02141 6.59  LDD1829 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.36  LDD1829 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.73  LDD1829 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 7.46  LDD1829 
Beta-galactosidase (GLB1) LDTP02837 9.85  LDD1829 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 12.38  LDD1829 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 8.82  LDD1829 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 7.46  LDD1829 
Ceramide glucosyltransferase (UGCG) LDTP06617 8.17  LDD1829 
Ceramide synthase 2 (CERS2) LDTP10329 11.88  LDD1829 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 7.73  LDD1829 
Cyclin-dependent kinase 9 (CDK9) LDTP04384 9.71  LDD1829 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 7.36  LDD1829 
Cytochrome b5 type B (CYB5B) LDTP00697 10.85  LDD1829 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 7.94  LDD1829 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 8.17  LDD1829 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 7.16  LDD1829 
Delta(24)-sterol reductase (DHCR24) LDTP06375 14.62  LDD1829 
Dihydrofolate reductase (DHFR) LDTP01769 30.91  LDD1829 
DNA polymerase epsilon subunit 2 (POLE2) LDTP04737 14.32  LDD1829 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 9.06  LDD1829 
E3 UFM1-protein ligase 1 (UFL1) LDTP01444 7.52  LDD1829 
eEF1A lysine and N-terminal methyltransferase (METTL13) LDTP08947 11.16  LDD1829 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 6.54  LDD1829 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 8.57  LDD1829 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 7.11  LDD1829 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.38  LDD1829 
Epoxide hydrolase 1 (EPHX1) LDTP02175 11.79  LDD1829 
Ferrochelatase, mitochondrial (FECH) LDTP03198 7.11  LDD1829 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 8.51  LDD1829 
GMP synthase [glutamine-hydrolyzing] (GMPS) LDTP04333 16.91  LDD1829 
Heme oxygenase 1 (HMOX1) LDTP02359 25.63  LDD1829 
Heme oxygenase 2 (HMOX2) LDTP03540 19.43  LDD1829 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 6.77  LDD1829 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 6.96  LDD1829 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 7.78  LDD1829 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 12.30  LDD1829 
Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 11.00  LDD1829 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 8.06  LDD1829 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 7.84  LDD1829 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 8.06  LDD1829 
Lysosomal acid phosphatase (ACP2) LDTP02539 10.34  LDD1829 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 16.22  LDD1829 
Lysosomal protective protein (CTSA) LDTP02505 10.20  LDD1829 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 9.92  LDD1829 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 8.34  LDD1829 
N-lysine methyltransferase SMYD2 (SMYD2) LDTP12509 13.74  LDD1829 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 12.82  LDD1829 
NADH-ubiquinone oxidoreductase chain 2 (MT-ND2) LDTP01983 7.89  LDD1829 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 12.91  LDD1829 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 13.27  LDD1829 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 7.26  LDD1829 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 13.83  LDD1829 
Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A) LDTP05029 91.77  LDD1829 
Peptidyl-prolyl cis-trans isomerase FKBP2 (FKBP2) LDTP03374 6.59  LDD1829 
Peptidyl-prolyl cis-trans isomerase FKBP4 (FKBP4) LDTP05372 10.34  LDD1829 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 10.06  LDD1829 
Peptidyl-prolyl cis-trans isomerase FKBP9 (FKBP9) LDTP01562 44.63  LDD1829 
Peroxisomal acyl-coenzyme A oxidase 1 (ACOX1) LDTP06307 12.82  LDD1829 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 8.46  LDD1829 
Phospholipase A-2-activating protein (PLAA) LDTP13814 6.96  LDD1829 
Phospholipase A2 group XV (PLA2G15) LDTP09088 8.69  LDD1829 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 17.03  LDD1829 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 11.39  LDD1829 
Prolyl endopeptidase-like (PREPL) LDTP06849 9.25  LDD1829 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 13.83  LDD1829 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 7.36  LDD1829 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 6.73  LDD1829 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 8.75  LDD1829 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 6.68  LDD1829 
Protein O-GlcNAcase (OGA) LDTP00988 10.48  LDD1829 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.73  LDD1829 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 16.80  LDD1829 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 17.39  LDD1829 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 11.24  LDD1829 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 12.91  LDD1829 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 21.41  LDD1829 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 14.83  LDD1829 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 10.13  LDD1829 
Sphingomyelin phosphodiesterase (SMPD1) LDTP02896 8.40  LDD1829 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 6.54  LDD1829 
TLC domain-containing protein 1 (TLCD1) LDTP10182 9.00  LDD1829 
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 8.63  LDD1829 
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⏷ Show the Full List of 88 Enzyme
47 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
45 kDa calcium-binding protein (SDF4) LDTP11116 6.59  LDD1829 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 7.21  LDD1829 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 8.00  LDD1829 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 17.51  LDD1829 
H(+)/Cl(-) exchange transporter 6 (CLCN6) LDTP04462 8.94  LDD1829 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 7.11  LDD1829 
Integral membrane protein 2C (ITM2C) LDTP12451 8.94  LDD1829 
Lysosomal cobalamin transport escort protein LMBD1 (LMBRD1) LDTP12636 8.57  LDD1829 
Lysosome membrane protein 2 (SCARB2) LDTP06034 16.34  LDD1829 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 21.56  LDD1829 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 9.32  LDD1829 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 9.19  LDD1829 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 7.16  LDD1829 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 8.17  LDD1829 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 28.64  LDD1829 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 16.91  LDD1829 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 12.82  LDD1829 
Mpv17-like protein 2 (MPV17L2) LDTP14952 22.63  LDD1829 
Nucleoporin NDC1 (NDC1) LDTP11213 7.16  LDD1829 
Prosaposin (PSAP) LDTP02215 8.57  LDD1829 
Protein GPR107 (GPR107) LDTP07236 10.85  LDD1829 
Protein spinster homolog 1 (SPNS1) LDTP11844 7.78  LDD1829 
Protein tweety homolog 3 (TTYH3) LDTP11615 8.88  LDD1829 
Protein wntless homolog (WLS) LDTP07156 8.17  LDD1829 
Putative divalent cation/proton antiporter TMEM165 (TMEM165) LDTP12207 7.11  LDD1829 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 6.73  LDD1829 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 13.18  LDD1829 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 17.15  LDD1829 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 24.08  LDD1829 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 7.78  LDD1829 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 6.77  LDD1829 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 10.34  LDD1829 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 11.39  LDD1829 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 12.30  LDD1829 
Tetraspanin-3 (TSPAN3) LDTP16813 19.56  LDD1829 
Transferrin receptor protein 1 (TFRC) LDTP01969 6.87  LDD1829 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 11.63  LDD1829 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 8.17  LDD1829 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 7.57  LDD1829 
Transmembrane emp24 domain-containing protein 2 (TMED2) LDTP06365 7.57  LDD1829 
Transmembrane protein 126A (TMEM126A) LDTP15948 7.89  LDD1829 
Transmembrane protein 160 (TMEM160) LDTP20002 7.06  LDD1829 
Transmembrane protein 199 (TMEM199) LDTP08881 12.64  LDD1829 
Transmembrane protein 87A (TMEM87A) LDTP15481 10.78  LDD1829 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 12.73  LDD1829 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 16.00  LDD1829 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 15.03  LDD1829 
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⏷ Show the Full List of 47 Transporter and channel
53 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 9.65  LDD1829 
Apolipoprotein L2 (APOL2) LDTP11076 29.45  LDD1829 
Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2 (ACAP2) LDTP06302 6.54  LDD1829 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 8.34  LDD1829 
Centrosomal protein 43 (CEP43) LDTP01652 10.41  LDD1829 
Clustered mitochondria protein homolog (CLUH) LDTP14486 14.93  LDD1829 
Coatomer subunit epsilon (COPE) LDTP00376 8.57  LDD1829 
Cold-inducible RNA-binding protein (CIRBP) LDTP06022 6.54  LDD1829 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 7.01  LDD1829 
DNA replication complex GINS protein PSF2 (GINS2) LDTP13802 6.87  LDD1829 
Dynactin subunit 4 (DCTN4) LDTP13402 10.48  LDD1829 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 9.85  LDD1829 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 22.63  LDD1829 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 7.41  LDD1829 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 7.06  LDD1829 
Golgi apparatus protein 1 (GLG1) LDTP09920 7.46  LDD1829 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 9.92  LDD1829 
KIF-binding protein (KIFBP) LDTP10263 6.68  LDD1829 
Large proline-rich protein BAG6 (BAG6) LDTP04094 11.00  LDD1829 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 22.63  LDD1829 
Mediator of RNA polymerase II transcription subunit 4 (MED4) LDTP12377 6.68  LDD1829 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 8.11  LDD1829 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 9.58  LDD1829 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 9.99  LDD1829 
Nucleobindin-1 (NUCB1) LDTP05375 12.13  LDD1829 
Nucleobindin-2 (NUCB2) LDTP05160 20.11  LDD1829 
Nucleolar protein 9 (NOP9) LDTP15283 7.21  LDD1829 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 9.32  LDD1829 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 14.72  LDD1829 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 13.36  LDD1829 
Pre-mRNA-splicing factor SPF27 (BCAS2) LDTP01358 7.01  LDD1829 
Proteasome activator complex subunit 4 (PSME4) LDTP06250 6.82  LDD1829 
Protein CEBPZOS (CEBPZOS) LDTP18883 7.11  LDD1829 
Protein CutA (CUTA) LDTP01075 14.03  LDD1829 
Protein FAM114A2 (FAM114A2) LDTP16080 9.06  LDD1829 
Protein FAM162A (FAM162A) LDTP10056 7.31  LDD1829 
Protein kinase C and casein kinase substrate in neurons protein 2 (PACSIN2) LDTP13656 14.62  LDD1829 
Protein MTSS 2 (MTSS2) LDTP07916 6.73  LDD1829 
Protein SET (SET) LDTP05277 8.22  LDD1829 
Protein unc-119 homolog B (UNC119B) LDTP00105 16.91  LDD1829 
Reticulocalbin-2 (RCN2) LDTP06097 7.84  LDD1829 
Reticulon-3 (RTN3) LDTP01522 9.25  LDD1829 
RNA-binding protein 3 (RBM3) LDTP05226 7.84  LDD1829 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.77  LDD1829 
Testis-expressed protein 264 (TEX264) LDTP14259 8.46  LDD1829 
Tetraspanin-6 (TSPAN6) LDTP14458 11.96  LDD1829 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 10.06  LDD1829 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 7.01  LDD1829 
Translation initiation factor eIF2B subunit gamma (EIF2B3) LDTP12476 15.03  LDD1829 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 19.84  LDD1829 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 12.30  LDD1829 
Ubiquitin-associated protein 2-like (UBAP2L) LDTP06060 7.06  LDD1829 
Zinc finger CCHC domain-containing protein 8 (ZCCHC8) LDTP07496 7.84  LDD1829 
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⏷ Show the Full List of 53 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
 LDD1829 
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