Details of the Probe

General Information of Probe

Probe ID
LDPC0432
Probe Name
C196
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 348.406
Lipid-water partition coefficient (xlogp) 2.8381
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H20N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])[H])c2c([H])c([H])c3c([H])c([H])c([H])c([H])c3c2[H])N=N1
InChI
InChI=1S/C20H20N4O2/c1-2-3-11-20(23-24-20)12-10-17(25)22-18(19(21)26)16-9-8-14-6-4-5-7-15(14)13-16/h1,4-9,13,18H,3,10-12H2,(H2,21,26)(H,22,25)/t18-/m1/s1
InChIKey
SAHFDIXEDDCOOB-GOSISDBHSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

65 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-dependent glucokinase (ADPGK) LDTP11127 19.56  LDD1872 
ADP-ribosylation factor-like protein 1 (ARL1) LDTP03900 11.00  LDD1872 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 16.68  LDD1872 
Aspartyl/asparaginyl beta-hydroxylase (ASPH) LDTP05652 14.32  LDD1872 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 11.08  LDD1872 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 20.82  LDD1872 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 12.55  LDD1872 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 23.59  LDD1872 
Catechol O-methyltransferase (COMT) LDTP03145 14.22  LDD1872 
Cell division cycle protein 23 homolog (CDC23) LDTP13408 10.78  LDD1872 
Ceramide glucosyltransferase (UGCG) LDTP06617 22.47  LDD1872 
Ceramide synthase 2 (CERS2) LDTP10329 15.45  LDD1872 
Choline kinase alpha (CHKA) LDTP03787 12.38  LDD1872 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 29.86  LDD1872 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 24.25  LDD1872 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 28.05  LDD1872 
Cytochrome b5 type B (CYB5B) LDTP00697 36.25  LDD1872 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 21.71  LDD1872 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 10.70  LDD1872 
Dihydrofolate reductase (DHFR) LDTP01769 21.56  LDD1872 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 10.56  LDD1872 
Dual specificity protein phosphatase 9 (DUSP9) LDTP11016 12.13  LDD1872 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 13.64  LDD1872 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 10.70  LDD1872 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 26.17  LDD1872 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 14.52  LDD1872 
Farnesyl pyrophosphate synthase (FDPS) LDTP02721 10.85  LDD1872 
Glyoxalase domain-containing protein 4 (GLOD4) LDTP16040 13.09  LDD1872 
Heme oxygenase 1 (HMOX1) LDTP02359 40.22  LDD1872 
Heme oxygenase 2 (HMOX2) LDTP03540 31.56  LDD1872 
Holocytochrome c-type synthase (HCCS) LDTP04581 9.71  LDD1872 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 15.89  LDD1872 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 10.93  LDD1872 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 9.71  LDD1872 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 9.71  LDD1872 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 64.89  LDD1872 
Lysophosphatidylcholine acyltransferase 1 (LPCAT1) LDTP09188 11.63  LDD1872 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 36.25  LDD1872 
N-alpha-acetyltransferase 25, NatB auxiliary subunit (NAA25) LDTP06262 10.70  LDD1872 
NADH dehydrogenase 1 alpha subcomplex subunit 3 (NDUFA3) LDTP01513 16.56  LDD1872 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 23.75  LDD1872 
NADH dehydrogenase iron-sulfur protein 2, mitochondrial (NDUFS2) LDTP01168 13.74  LDD1872 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 17.39  LDD1872 
Nucleoside diphosphate kinase homolog 7 (NME7) LDTP14108 16.22  LDD1872 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 12.73  LDD1872 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 36.76  LDD1872 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 9.85  LDD1872 
Phosphatidylserine synthase 1 (PTDSS1) LDTP04203 11.47  LDD1872 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 17.27  LDD1872 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 11.79  LDD1872 
Prostaglandin reductase 3 (PTGR3) LDTP15422 12.47  LDD1872 
Proteasome subunit alpha type-2 (PSMA2) LDTP03331 23.92  LDD1872 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.99  LDD1872 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 21.11  LDD1872 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 17.75  LDD1872 
Ras-related protein Rab-24 (RAB24) LDTP10020 11.88  LDD1872 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 10.41  LDD1872 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 13.64  LDD1872 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 14.72  LDD1872 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 12.38  LDD1872 
Sulfhydryl oxidase 2 (QSOX2) LDTP07813 11.00  LDD1872 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 11.96  LDD1872 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 16.56  LDD1872 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 11.88  LDD1872 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 17.15  LDD1872 
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⏷ Show the Full List of 65 Enzyme
55 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Activator of 90 kDa heat shock protein ATPase homolog 1 (AHSA1) LDTP01601 11.88  LDD1872 
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 13.00  LDD1872 
ADP/ATP translocase 3 (SLC25A6) LDTP02609 12.04  LDD1872 
AP-3 complex subunit delta-1 (AP3D1) LDTP00383 13.55  LDD1872 
ATP synthase subunit a (MT-ATP6) LDTP01804 99.73  LDD1872 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 31.78  LDD1872 
BOS complex subunit NCLN (NCLN) LDTP10036 11.47  LDD1872 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 13.00  LDD1872 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 72.00  LDD1872 
Derlin-1 (DERL1) LDTP11245 19.29  LDD1872 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 10.56  LDD1872 
Growth hormone-inducible transmembrane protein (GHITM) LDTP11869 11.08  LDD1872 
Importin-9 (IPO9) LDTP10663 10.13  LDD1872 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 11.71  LDD1872 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 13.18  LDD1872 
Melanoma inhibitory activity protein 2 (MIA2) LDTP10669 11.39  LDD1872 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 13.93  LDD1872 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 25.99  LDD1872 
Metaxin-1 (MTX1) LDTP05900 16.80  LDD1872 
Metaxin-2 (MTX2) LDTP01217 15.24  LDD1872 
MICOS complex subunit MIC26 (APOO) LDTP11250 16.80  LDD1872 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 18.77  LDD1872 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 11.08  LDD1872 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 65.34  LDD1872 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 31.56  LDD1872 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 17.63  LDD1872 
Mitochondrial proton/calcium exchanger protein (LETM1) LDTP01525 9.85  LDD1872 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 13.27  LDD1872 
Mpv17-like protein 2 (MPV17L2) LDTP14952 11.00  LDD1872 
Nuclear RNA export factor 1 (NXF1) LDTP13163 11.96  LDD1872 
Nucleoporin NDC1 (NDC1) LDTP11213 12.21  LDD1872 
PAT complex subunit CCDC47 (CCDC47) LDTP10059 13.83  LDD1872 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 17.39  LDD1872 
Peroxisomal membrane protein PEX14 (PEX14) LDTP01200 11.96  LDD1872 
PRA1 family protein 2 (PRAF2) LDTP01060 11.63  LDD1872 
Protein ARV1 (ARV1) LDTP11812 26.17  LDD1872 
Protein FAM8A1 (FAM8A1) LDTP16190 12.73  LDD1872 
Protein GPR107 (GPR107) LDTP07236 16.00  LDD1872 
Protein GPR108 (GPR108) LDTP12383 16.68  LDD1872 
Proton-coupled zinc antiporter SLC30A5 (SLC30A5) LDTP09294 11.55  LDD1872 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 13.36  LDD1872 
Solute carrier family 25 member 3 (SLC25A3) LDTP05238 11.08  LDD1872 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 20.97  LDD1872 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 10.85  LDD1872 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 29.24  LDD1872 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 35.02  LDD1872 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 17.15  LDD1872 
Transmembrane protein 126A (TMEM126A) LDTP15948 36.76  LDD1872 
Transmembrane protein 160 (TMEM160) LDTP20002 26.17  LDD1872 
Transmembrane protein 199 (TMEM199) LDTP08881 20.11  LDD1872 
Transmembrane protein 230 (TMEM230) LDTP10065 16.00  LDD1872 
Transmembrane protein 33 (TMEM33) LDTP04787 11.00  LDD1872 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 11.55  LDD1872 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 18.00  LDD1872 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 12.64  LDD1872 
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⏷ Show the Full List of 55 Transporter and channel
61 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 17.27  LDD1872 
Apolipoprotein L2 (APOL2) LDTP11076 81.01  LDD1872 
Calmodulin-3 (CALM3) LDTP02443 13.83  LDD1872 
Centrin-2 (CETN2) LDTP03926 24.25  LDD1872 
Clustered mitochondria protein homolog (CLUH) LDTP14486 24.25  LDD1872 
Dynactin subunit 3 (DCTN3) LDTP01359 11.16  LDD1872 
Emerin (EMD) LDTP04356 10.48  LDD1872 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 24.93  LDD1872 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 15.35  LDD1872 
Evolutionarily conserved signaling intermediate in Toll pathway, mitochondrial (ECSIT) LDTP11065 11.24  LDD1872 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 16.45  LDD1872 
Heterogeneous nuclear ribonucleoprotein D-like (HNRNPDL) LDTP00500 10.85  LDD1872 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 10.41  LDD1872 
Heterogeneous nuclear ribonucleoprotein H (HNRNPH1) LDTP03615 10.20  LDD1872 
Heterogeneous nuclear ribonucleoprotein H2 (HNRNPH2) LDTP04714 9.78  LDD1872 
Heterogeneous nuclear ribonucleoprotein Q (SYNCRIP) LDTP00991 11.16  LDD1872 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 11.71  LDD1872 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 13.93  LDD1872 
Large ribosomal subunit protein uL10m (MRPL10) LDTP08154 33.59  LDD1872 
Lipid droplet-regulating VLDL assembly factor AUP1 (AUP1) LDTP14217 13.64  LDD1872 
MICOS complex subunit MIC13 (MICOS13) LDTP07274 12.21  LDD1872 
Microtubule-associated protein 1S (MAP1S) LDTP07297 10.20  LDD1872 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 34.78  LDD1872 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 24.59  LDD1872 
Negative elongation factor C/D (NELFCD) LDTP08594 21.56  LDD1872 
Neurofilament light polypeptide (NEFL) LDTP02180 9.99  LDD1872 
Nucleobindin-1 (NUCB1) LDTP05375 19.43  LDD1872 
Nucleobindin-2 (NUCB2) LDTP05160 17.88  LDD1872 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 11.16  LDD1872 
p53 and DNA damage-regulated protein 1 (PDRG1) LDTP16099 18.77  LDD1872 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 43.71  LDD1872 
Proline-, glutamic acid- and leucine-rich protein 1 (PELP1) LDTP08707 9.78  LDD1872 
Protein FAM114A2 (FAM114A2) LDTP16080 15.03  LDD1872 
Protein FAM162A (FAM162A) LDTP10056 11.47  LDD1872 
Protein LYRIC (MTDH) LDTP08224 17.27  LDD1872 
Protein misato homolog 1 (MSTO1) LDTP11239 10.20  LDD1872 
Protein SET (SET) LDTP05277 99.73  LDD1872 
Protein SYS1 homolog (SYS1) LDTP08796 30.27  LDD1872 
Receptor expression-enhancing protein 4 (REEP4) LDTP11981 11.79  LDD1872 
Reticulocalbin-2 (RCN2) LDTP06097 12.13  LDD1872 
Reticulon-3 (RTN3) LDTP01522 36.25  LDD1872 
Reticulon-4 (RTN4) LDTP12412 9.99  LDD1872 
RNA-binding protein EWS (EWSR1) LDTP05318 10.85  LDD1872 
RNA-binding protein FUS (FUS) LDTP03775 12.38  LDD1872 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 13.00  LDD1872 
Small ribosomal subunit protein mS33 (MRPS33) LDTP18561 13.18  LDD1872 
Superkiller complex protein 3 (SKIC3) LDTP07574 24.08  LDD1872 
Survival motor neuron protein (SMN1; SMN2) LDTP06587 10.41  LDD1872 
Synaptogyrin-2 (SYNGR2) LDTP00859 13.93  LDD1872 
Syntaxin-18 (STX18) LDTP13086 21.71  LDD1872 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 11.31  LDD1872 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 9.99  LDD1872 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 11.00  LDD1872 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 16.45  LDD1872 
TraB domain-containing protein (TRABD) LDTP19963 13.74  LDD1872 
Transducin beta-like protein 2 (TBL2) LDTP16285 11.16  LDD1872 
Translation initiation factor eIF2B subunit gamma (EIF2B3) LDTP12476 14.12  LDD1872 
Transmembrane emp24 domain-containing protein 5 (TMED5) LDTP13967 10.70  LDD1872 
Tudor and KH domain-containing protein (TDRKH) LDTP13922 10.20  LDD1872 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 18.77  LDD1872 
UPF0488 protein C8orf33 (C8orf33) LDTP12025 16.34  LDD1872 
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⏷ Show the Full List of 61 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
 LDD1872 
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