Details of the Probe

General Information of Probe

Probe ID
LDPC0500
Probe Name
C270
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 367.497
Lipid-water partition coefficient (xlogp) 3.6957
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H29N5O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c([H])nc(C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])nc3C([H])([H])C2([H])[H])N=N1
InChI
InChI=1S/C21H29N5O/c1-5-6-10-21(24-25-21)12-8-19(27)26-13-9-17-16(15-26)14-22-18(23-17)7-11-20(2,3)4/h1,14H,6-13,15H2,2-4H3
InChIKey
KEZLPFGNZREQCY-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

96 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
26S proteasome non-ATPase regulatory subunit 8 (PSMD8) LDTP04196 6.45  LDD1940 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 16.68  LDD1940 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 6.15  LDD1940 
7-dehydrocholesterol reductase (DHCR7) LDTP13131 7.26  LDD1940 
Acid ceramidase (ASAH1) LDTP05905 13.93  LDD1940 
Adenosine 5'-monophosphoramidase HINT3 (HINT3) LDTP12415 28.44  LDD1940 
Adenosine kinase (ADK) LDTP04689 16.11  LDD1940 
ADP-dependent glucokinase (ADPGK) LDTP11127 6.92  LDD1940 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 11.24  LDD1940 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 6.50  LDD1940 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 10.78  LDD1940 
Arginase-2, mitochondrial (ARG2) LDTP05140 6.28  LDD1940 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.19  LDD1940 
Beta-galactosidase (GLB1) LDTP02837 8.11  LDD1940 
Beta-glucuronidase (GUSB) LDTP02260 6.59  LDD1940 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 7.41  LDD1940 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 10.48  LDD1940 
Calcium-independent phospholipase A2-gamma (PNPLA8) LDTP12318 7.36  LDD1940 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 9.65  LDD1940 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 8.34  LDD1940 
Cartilage-associated protein (CRTAP) LDTP01300 37.53  LDD1940 
Catechol O-methyltransferase (COMT) LDTP03145 7.01  LDD1940 
CDGSH iron-sulfur domain-containing protein 1 (CISD1) LDTP12873 11.00  LDD1940 
Ceramide glucosyltransferase (UGCG) LDTP06617 14.03  LDD1940 
Ceramide synthase 1 (CERS1) LDTP03394 6.28  LDD1940 
Ceramide synthase 2 (CERS2) LDTP10329 7.73  LDD1940 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 11.39  LDD1940 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 9.85  LDD1940 
Cytochrome b5 type B (CYB5B) LDTP00697 10.85  LDD1940 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.84  LDD1940 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 7.57  LDD1940 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.87  LDD1940 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 6.28  LDD1940 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 7.62  LDD1940 
Dual specificity protein phosphatase 9 (DUSP9) LDTP11016 11.24  LDD1940 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.41  LDD1940 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 12.38  LDD1940 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 7.36  LDD1940 
Exonuclease 1 (EXO1) LDTP13751 8.88  LDD1940 
Glucose-6-phosphate 1-dehydrogenase (G6PD) LDTP02569 14.72  LDD1940 
Glycosyltransferase 8 domain-containing protein 1 (GLT8D1) LDTP17305 7.89  LDD1940 
Heme oxygenase 1 (HMOX1) LDTP02359 7.84  LDD1940 
Heme oxygenase 2 (HMOX2) LDTP03540 7.62  LDD1940 
Holocytochrome c-type synthase (HCCS) LDTP04581 8.46  LDD1940 
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial (HADH) LDTP06645 8.75  LDD1940 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 8.28  LDD1940 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 28.64  LDD1940 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 17.51  LDD1940 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 10.41  LDD1940 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.96  LDD1940 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 8.22  LDD1940 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 20.39  LDD1940 
Long-chain-fatty-acid--CoA ligase 6 (ACSL6) LDTP13486 11.47  LDD1940 
Lysine-specific demethylase 5A (KDM5A) LDTP03484 16.80  LDD1940 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 6.92  LDD1940 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 8.69  LDD1940 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 9.25  LDD1940 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 7.01  LDD1940 
Minor histocompatibility antigen H13 (HM13) LDTP09396 7.31  LDD1940 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 13.74  LDD1940 
Mitochondrial intermediate peptidase (MIPEP) LDTP10981 11.16  LDD1940 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 6.87  LDD1940 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 6.87  LDD1940 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 6.02  LDD1940 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 9.51  LDD1940 
Nardilysin (NRDC) LDTP00886 6.45  LDD1940 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 11.24  LDD1940 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 17.27  LDD1940 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 35.75  LDD1940 
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (PIP4K2C) LDTP09355 6.96  LDD1940 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.41  LDD1940 
Prostaglandin reductase 1 (PTGR1) LDTP06227 7.52  LDD1940 
Prostaglandin reductase 3 (PTGR3) LDTP15422 9.06  LDD1940 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 10.63  LDD1940 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 19.84  LDD1940 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 6.02  LDD1940 
Protein arginine N-methyltransferase 9 (PRMT9) LDTP07525 9.06  LDD1940 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 10.27  LDD1940 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 12.38  LDD1940 
Ras-related protein Rab-11B (RAB11B) LDTP06501 6.50  LDD1940 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 20.82  LDD1940 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 15.45  LDD1940 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 8.88  LDD1940 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 8.94  LDD1940 
Secernin-3 (SCRN3) LDTP17022 7.84  LDD1940 
Serine/threonine-protein kinase ULK3 (ULK3) LDTP07577 6.68  LDD1940 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 7.52  LDD1940 
Short-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADS) LDTP02833 6.15  LDD1940 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 29.04  LDD1940 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.21  LDD1940 
Squalene synthase (FDFT1) LDTP03842 6.02  LDD1940 
TLC domain-containing protein 1 (TLCD1) LDTP10182 6.06  LDD1940 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 7.46  LDD1940 
Ubiquitin carboxyl-terminal hydrolase 28 (USP28) LDTP10785 11.55  LDD1940 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 6.41  LDD1940 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 8.94  LDD1940 
------------------------------------------------------------------------------------
⏷ Show the Full List of 96 Enzyme
58 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SLC35B2) LDTP09328 7.62  LDD1940 
AP-1 complex subunit beta-1 (AP1B1) LDTP05625 6.54  LDD1940 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 14.12  LDD1940 
BRI3-binding protein (BRI3BP) LDTP15648 7.57  LDD1940 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 28.05  LDD1940 
Endoplasmic reticulum membrane protein complex subunit 7 (EMC7) LDTP12331 6.50  LDD1940 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 13.45  LDD1940 
Importin-4 (IPO4) LDTP09515 7.57  LDD1940 
Lysosome membrane protein 2 (SCARB2) LDTP06034 7.78  LDD1940 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 7.26  LDD1940 
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 8.51  LDD1940 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 11.16  LDD1940 
Metaxin-1 (MTX1) LDTP05900 14.42  LDD1940 
Metaxin-2 (MTX2) LDTP01217 10.34  LDD1940 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 6.59  LDD1940 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 6.28  LDD1940 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 10.41  LDD1940 
Mitochondrial import inner membrane translocase subunit Tim10 (TIMM10) LDTP04956 13.09  LDD1940 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 9.25  LDD1940 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 32.90  LDD1940 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 38.05  LDD1940 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 10.13  LDD1940 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 6.77  LDD1940 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 8.75  LDD1940 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 17.75  LDD1940 
Monocarboxylate transporter 1 (SLC16A1) LDTP04592 8.17  LDD1940 
Mpv17-like protein 2 (MPV17L2) LDTP14952 14.52  LDD1940 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 6.45  LDD1940 
Nucleoporin NDC1 (NDC1) LDTP11213 6.96  LDD1940 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 11.71  LDD1940 
Peroxisomal membrane protein PEX14 (PEX14) LDTP01200 12.13  LDD1940 
Peroxisomal membrane protein PEX16 (PEX16) LDTP14181 8.75  LDD1940 
Prosaposin (PSAP) LDTP02215 7.11  LDD1940 
Protein FAM8A1 (FAM8A1) LDTP16190 6.92  LDD1940 
Protein GPR107 (GPR107) LDTP07236 12.91  LDD1940 
Protein tweety homolog 3 (TTYH3) LDTP11615 7.41  LDD1940 
Protein YIPF3 (YIPF3) LDTP11626 6.77  LDD1940 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 8.46  LDD1940 
Reticulon-1 (RTN1) LDTP06633 12.82  LDD1940 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 12.55  LDD1940 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 14.83  LDD1940 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 13.74  LDD1940 
Sorting nexin-19 (SNX19) LDTP09788 6.15  LDD1940 
Sugar transporter SWEET1 (SLC50A1) LDTP11136 11.31  LDD1940 
Surfeit locus protein 4 (SURF4) LDTP00592 7.52  LDD1940 
Tetraspanin-10 (TSPAN10) LDTP15967 8.22  LDD1940 
Tetraspanin-3 (TSPAN3) LDTP16813 14.72  LDD1940 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 12.55  LDD1940 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 17.75  LDD1940 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 9.25  LDD1940 
Transmembrane protein 126A (TMEM126A) LDTP15948 22.47  LDD1940 
Transmembrane protein 160 (TMEM160) LDTP20002 30.48  LDD1940 
Transmembrane protein 199 (TMEM199) LDTP08881 79.34  LDD1940 
Transmembrane protein 87A (TMEM87A) LDTP15481 11.55  LDD1940 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 6.82  LDD1940 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 20.39  LDD1940 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 13.45  LDD1940 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 6.11  LDD1940 
------------------------------------------------------------------------------------
⏷ Show the Full List of 58 Transporter and channel
46 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 10.56  LDD1940 
Apolipoprotein L2 (APOL2) LDTP11076 41.36  LDD1940 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 7.01  LDD1940 
Calumenin (CALU) LDTP00887 6.45  LDD1940 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 11.47  LDD1940 
Dynactin subunit 3 (DCTN3) LDTP01359 11.88  LDD1940 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 12.47  LDD1940 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 27.47  LDD1940 
Ganglioside GM2 activator (GM2A) LDTP02927 8.11  LDD1940 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 10.06  LDD1940 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 8.11  LDD1940 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 11.08  LDD1940 
Leucine zipper putative tumor suppressor 2 (LZTS2) LDTP11115 6.19  LDD1940 
Membralin (TMEM259) LDTP14939 18.38  LDD1940 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 11.63  LDD1940 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 38.59  LDD1940 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 10.27  LDD1940 
Nucleobindin-2 (NUCB2) LDTP05160 12.21  LDD1940 
Optic atrophy 3 protein (OPA3) LDTP16006 8.69  LDD1940 
Protein CutA (CUTA) LDTP01075 11.71  LDD1940 
Protein FAM114A2 (FAM114A2) LDTP16080 8.75  LDD1940 
Protein FAM162A (FAM162A) LDTP10056 11.47  LDD1940 
Protein FAM177A1 (FAM177A1) LDTP15398 6.11  LDD1940 
Protein FAM3C (FAM3C) LDTP09773 6.45  LDD1940 
Protein LYRIC (MTDH) LDTP08224 8.00  LDD1940 
Protein unc-119 homolog A (UNC119) LDTP05868 8.06  LDD1940 
Protein unc-119 homolog B (UNC119B) LDTP00105 16.00  LDD1940 
Reticulocalbin-2 (RCN2) LDTP06097 8.88  LDD1940 
Reticulon-3 (RTN3) LDTP01522 8.82  LDD1940 
Reticulon-4 (RTN4) LDTP12412 6.92  LDD1940 
Rho GTPase-activating protein 17 (ARHGAP17) LDTP07335 6.92  LDD1940 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 8.17  LDD1940 
Small integral membrane protein 12 (SMIM12) LDTP19859 7.36  LDD1940 
Splicing factor ESS-2 homolog (ESS2) LDTP10214 7.84  LDD1940 
Synaptic vesicle glycoprotein 2A (SV2A) LDTP07934 6.50  LDD1940 
Syntaxin-18 (STX18) LDTP13086 6.77  LDD1940 
Tetraspanin-6 (TSPAN6) LDTP14458 7.73  LDD1940 
Tetratricopeptide repeat protein 19, mitochondrial (TTC19) LDTP07368 8.94  LDD1940 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 11.24  LDD1940 
Tubulin beta chain (TUBB) LDTP02205 8.82  LDD1940 
Tubulin beta-2A chain (TUBB2A) LDTP05998 8.34  LDD1940 
Tubulin beta-2B chain (TUBB2B) LDTP11277 15.56  LDD1940 
Tubulin beta-4A chain (TUBB4A) LDTP02037 6.96  LDD1940 
Tubulin beta-4B chain (TUBB4B) LDTP05076 9.65  LDD1940 
Tubulin beta-6 chain (TUBB6) LDTP11233 9.32  LDD1940 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 17.15  LDD1940 
------------------------------------------------------------------------------------
⏷ Show the Full List of 46 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
 LDD1940 
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