Details of the Probe

General Information of Probe

Probe ID
LDPC0285
Probe Name
C017
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 379.464
Lipid-water partition coefficient (xlogp) 3.51042
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H25N5O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(nc(C([H])([H])[H])n3C3(C([H])([H])O[H])C([H])([H])C([H])([H])C3([H])[H])c2[H])N=N1
InChI
InChI=1S/C21H25N5O2/c1-3-4-11-21(24-25-21)12-8-19(28)23-16-6-7-18-17(13-16)22-15(2)26(18)20(14-27)9-5-10-20/h1,6-7,13,27H,4-5,8-12,14H2,2H3,(H,23,28)
InChIKey
OSGRXKBUUNSQJC-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

105 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 9.13  LDD1725 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 9.78  LDD1725 
5'-nucleotidase domain-containing protein 2 (NT5DC2) LDTP18414 6.19  LDD1725 
Acyl-coenzyme A thioesterase 1 (ACOT1) LDTP08209 9.38  LDD1725 
Adenosine deaminase (ADA) LDTP01803 18.90  LDD1725 
Adenosine kinase (ADK) LDTP04689 23.75  LDD1725 
ADP-dependent glucokinase (ADPGK) LDTP11127 27.47  LDD1725 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 12.73  LDD1725 
All trans-polyprenyl-diphosphate synthase PDSS2 (PDSS2) LDTP08401 5.86  LDD1725 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.86  LDD1725 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 7.73  LDD1725 
Beta-glucuronidase (GUSB) LDTP02260 6.41  LDD1725 
Calcium/calmodulin-dependent protein kinase type II subunit gamma (CAMK2G) LDTP05920 6.50  LDD1725 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 6.82  LDD1725 
Cartilage-associated protein (CRTAP) LDTP01300 7.62  LDD1725 
Ceramide synthase 1 (CERS1) LDTP03394 25.63  LDD1725 
Ceramide synthase 2 (CERS2) LDTP10329 9.92  LDD1725 
Chitinase domain-containing protein 1 (CHID1) LDTP11336 11.63  LDD1725 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 6.36  LDD1725 
COP9 signalosome complex subunit 5 (COPS5) LDTP09925 8.28  LDD1725 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 6.73  LDD1725 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 5.86  LDD1725 
Cytochrome b5 type B (CYB5B) LDTP00697 6.15  LDD1725 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 7.94  LDD1725 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 12.64  LDD1725 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.82  LDD1725 
Dehydrogenase/reductase SDR family member 4 (DHRS4) LDTP11216 6.73  LDD1725 
Delta(24)-sterol reductase (DHCR24) LDTP06375 6.36  LDD1725 
DnaJ homolog subfamily C member 10 (DNAJC10) LDTP08590 6.96  LDD1725 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A (STT3A) LDTP04120 6.50  LDD1725 
E3 ubiquitin-protein ligase AMFR (AMFR) LDTP13491 6.23  LDD1725 
E3 ubiquitin-protein ligase TRIM13 (TRIM13) LDTP01065 9.38  LDD1725 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 12.73  LDD1725 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 7.01  LDD1725 
Endoplasmic reticulum aminopeptidase 2 (ERAP2) LDTP07503 7.52  LDD1725 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 6.59  LDD1725 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 7.36  LDD1725 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 6.77  LDD1725 
Epoxide hydrolase 1 (EPHX1) LDTP02175 6.68  LDD1725 
Exonuclease 1 (EXO1) LDTP13751 7.31  LDD1725 
GDP-fucose protein O-fucosyltransferase 2 (POFUT2) LDTP13862 10.13  LDD1725 
Glutathione S-transferase A4 (GSTA4) LDTP00575 6.06  LDD1725 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 34.78  LDD1725 
GPI ethanolamine phosphate transferase 2 (PIGG) LDTP06977 5.66  LDD1725 
GPI-anchor transamidase (PIGK) LDTP09835 5.94  LDD1725 
Heme oxygenase 1 (HMOX1) LDTP02359 6.15  LDD1725 
Heme oxygenase 2 (HMOX2) LDTP03540 7.73  LDD1725 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 7.57  LDD1725 
Inactive C-alpha-formylglycine-generating enzyme 2 (SUMF2) LDTP09056 11.08  LDD1725 
Inositol 1,4,5-trisphosphate receptor-interacting protein (ITPRIP) LDTP08532 9.06  LDD1725 
Isochorismatase domain-containing protein 2 (ISOC2) LDTP18123 6.96  LDD1725 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 7.67  LDD1725 
Isoleucine--tRNA ligase, mitochondrial (IARS2) LDTP12588 6.06  LDD1725 
Ketosamine-3-kinase (FN3KRP) LDTP16025 6.02  LDD1725 
Lanosterol synthase (LSS) LDTP04183 7.46  LDD1725 
Long-chain-fatty-acid--CoA ligase 6 (ACSL6) LDTP13486 7.73  LDD1725 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 9.13  LDD1725 
Macrophage migration inhibitory factor (MIF) LDTP02713 6.50  LDD1725 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 16.00  LDD1725 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 7.01  LDD1725 
NAD kinase 2, mitochondrial (NADK2) LDTP06839 6.54  LDD1725 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 7.31  LDD1725 
NAD-dependent malic enzyme, mitochondrial (ME2) LDTP03220 7.11  LDD1725 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 10.56  LDD1725 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 6.06  LDD1725 
NADPH--cytochrome P450 reductase (POR) LDTP02848 8.75  LDD1725 
Neurolysin, mitochondrial (NLN) LDTP11494 6.68  LDD1725 
Obg-like ATPase 1 (OLA1) LDTP12610 9.19  LDD1725 
Peptidyl-prolyl cis-trans isomerase FKBP10 (FKBP10) LDTP10101 8.40  LDD1725 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 20.53  LDD1725 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 11.71  LDD1725 
Peripheral plasma membrane protein CASK (CASK) LDTP00482 5.66  LDD1725 
Peroxiredoxin-4 (PRDX4) LDTP05773 8.63  LDD1725 
Peroxisomal trans-2-enoyl-CoA reductase (PECR) LDTP11437 8.11  LDD1725 
Phosphatidylserine decarboxylase proenzyme, mitochondrial (PISD) LDTP13220 6.41  LDD1725 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 7.89  LDD1725 
Poly [ADP-ribose] polymerase 2 (PARP2) LDTP13240 12.82  LDD1725 
Polypeptide N-acetylgalactosaminyltransferase 1 (GALNT1) LDTP05624 5.58  LDD1725 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 6.06  LDD1725 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 8.11  LDD1725 
Presequence protease, mitochondrial (PITRM1) LDTP07003 12.55  LDD1725 
Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 18.90  LDD1725 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 10.85  LDD1725 
Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 5.86  LDD1725 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 6.41  LDD1725 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 6.92  LDD1725 
Proteasome subunit beta type-4 (PSMB4) LDTP03417 6.19  LDD1725 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 9.92  LDD1725 
Protein disulfide-isomerase (P4HB) LDTP02188 11.55  LDD1725 
Protein disulfide-isomerase A5 (PDIA5) LDTP06145 7.46  LDD1725 
Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2 (POMGNT2) LDTP09031 11.00  LDD1725 
Protein O-mannosyl-transferase TMTC3 (TMTC3) LDTP07868 5.54  LDD1725 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 9.25  LDD1725 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.73  LDD1725 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 13.36  LDD1725 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 12.73  LDD1725 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit epsilon isoform (PPP2R5E) LDTP06546 9.45  LDD1725 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 7.06  LDD1725 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 6.96  LDD1725 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 5.58  LDD1725 
Squalene synthase (FDFT1) LDTP03842 8.46  LDD1725 
Sulfide:quinone oxidoreductase, mitochondrial (SQOR) LDTP14278 5.74  LDD1725 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 14.03  LDD1725 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 8.11  LDD1725 
Xaa-Pro aminopeptidase 1 (XPNPEP1) LDTP12444 11.71  LDD1725 
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⏷ Show the Full List of 105 Enzyme
49 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
45 kDa calcium-binding protein (SDF4) LDTP11116 7.52  LDD1725 
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 7.01  LDD1725 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 7.41  LDD1725 
BRI3-binding protein (BRI3BP) LDTP15648 11.96  LDD1725 
Calnexin (CANX) LDTP03405 7.16  LDD1725 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 13.18  LDD1725 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 7.62  LDD1725 
Derlin-1 (DERL1) LDTP11245 7.06  LDD1725 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.50  LDD1725 
Essential MCU regulator, mitochondrial (SMDT1) LDTP11927 8.28  LDD1725 
H(+)/Cl(-) exchange transporter 6 (CLCN6) LDTP04462 5.90  LDD1725 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 5.90  LDD1725 
Melanoma inhibitory activity protein 2 (MIA2) LDTP10669 6.50  LDD1725 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 11.71  LDD1725 
Mitochondrial 2-oxoglutarate/malate carrier protein (SLC25A11) LDTP05384 8.22  LDD1725 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 6.68  LDD1725 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 5.70  LDD1725 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 37.53  LDD1725 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 53.82  LDD1725 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 5.82  LDD1725 
Mpv17-like protein 2 (MPV17L2) LDTP14952 6.19  LDD1725 
Multiple coagulation factor deficiency protein 2 (MCFD2) LDTP09278 14.83  LDD1725 
Nucleoporin NDC1 (NDC1) LDTP11213 6.11  LDD1725 
PAT complex subunit CCDC47 (CCDC47) LDTP10059 5.94  LDD1725 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 11.47  LDD1725 
Protein FAM8A1 (FAM8A1) LDTP16190 8.11  LDD1725 
Protein GPR107 (GPR107) LDTP07236 7.73  LDD1725 
Protein OS-9 (OS9) LDTP05871 7.84  LDD1725 
Protein sel-1 homolog 1 (SEL1L) LDTP13164 6.68  LDD1725 
Protein wntless homolog (WLS) LDTP07156 8.94  LDD1725 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 19.29  LDD1725 
Reduced folate transporter (SLC19A1) LDTP03952 5.54  LDD1725 
Sorting nexin-27 (SNX27) LDTP10533 5.54  LDD1725 
SUN domain-containing protein 2 (SUN2) LDTP13256 6.28  LDD1725 
Surfeit locus protein 4 (SURF4) LDTP00592 10.13  LDD1725 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 7.36  LDD1725 
Translocator protein (TSPO) LDTP03546 7.46  LDD1725 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 18.25  LDD1725 
Translocon-associated protein subunit beta (SSR2) LDTP14682 7.73  LDD1725 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 7.11  LDD1725 
Transmembrane emp24 domain-containing protein 9 (TMED9) LDTP11291 5.58  LDD1725 
Transmembrane protein 126A (TMEM126A) LDTP15948 6.59  LDD1725 
Transmembrane protein 160 (TMEM160) LDTP20002 14.12  LDD1725 
Transmembrane protein 199 (TMEM199) LDTP08881 18.90  LDD1725 
Transmembrane protein 205 (TMEM205) LDTP07667 53.08  LDD1725 
Transportin-1 (TNPO1) LDTP09949 7.01  LDD1725 
Vacuole membrane protein 1 (VMP1) LDTP10343 5.62  LDD1725 
Vang-like protein 1 (VANGL1) LDTP09288 6.15  LDD1725 
Zinc transporter 7 (SLC30A7) LDTP09180 10.63  LDD1725 
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⏷ Show the Full List of 49 Transporter and channel
1 GPCR Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Membrane progestin receptor alpha (PAQR7) LDTP15303 10.27  LDD1725 
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2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, alpha chain F (HLA-F) LDTP03538 24.76  LDD1725 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 10.70  LDD1725 
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59 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-ribosylation factor-like protein 6-interacting protein 6 (ARL6IP6) LDTP15434 7.52  LDD1725 
Alpha-2-macroglobulin receptor-associated protein (LRPAP1) LDTP03545 6.87  LDD1725 
Ankyrin repeat and KH domain-containing protein 1 (ANKHD1) LDTP08573 7.46  LDD1725 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 16.00  LDD1725 
Apolipoprotein C-I (APOC1) LDTP01938 5.78  LDD1725 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.82  LDD1725 
Calumenin (CALU) LDTP00887 17.75  LDD1725 
Clustered mitochondria protein homolog (CLUH) LDTP14486 7.36  LDD1725 
Coiled-coil domain-containing protein 134 (CCDC134) LDTP11979 6.23  LDD1725 
Dedicator of cytokinesis protein 1 (DOCK1) LDTP06072 5.58  LDD1725 
DnaJ homolog subfamily C member 3 (DNAJC3) LDTP05789 6.23  LDD1725 
Endoplasmic reticulum-Golgi intermediate compartment protein 2 (ERGIC2) LDTP10775 8.34  LDD1725 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 6.32  LDD1725 
Endoplasmin (HSP90B1) LDTP02734 6.02  LDD1725 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 10.13  LDD1725 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.90  LDD1725 
HAUS augmin-like complex subunit 1 (HAUS1) LDTP10184 18.13  LDD1725 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 7.62  LDD1725 
Immunoglobulin-binding protein 1 (IGBP1) LDTP05089 7.94  LDD1725 
Inhibitor of nuclear factor kappa-B kinase-interacting protein (IKBIP) LDTP07891 8.94  LDD1725 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 6.06  LDD1725 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 7.26  LDD1725 
Laminin subunit beta-1 (LAMB1) LDTP02230 5.86  LDD1725 
Large ribosomal subunit protein mL64 (GADD45GIP1) LDTP09297 7.26  LDD1725 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 10.20  LDD1725 
Matrix-remodeling-associated protein 7 (MXRA7) LDTP17003 7.73  LDD1725 
Mdm2-binding protein (MTBP) LDTP15714 5.78  LDD1725 
Membralin (TMEM259) LDTP14939 13.36  LDD1725 
Mitochondrial fission 1 protein (FIS1) LDTP13982 6.19  LDD1725 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 8.11  LDD1725 
Mitochondrial import receptor subunit TOM20 homolog (TOMM20) LDTP06373 5.82  LDD1725 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 9.25  LDD1725 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 9.85  LDD1725 
Neudesin (NENF) LDTP13630 15.03  LDD1725 
Neuferricin (CYB5D2) LDTP15623 19.16  LDD1725 
Nucleobindin-1 (NUCB1) LDTP05375 8.40  LDD1725 
Nucleobindin-2 (NUCB2) LDTP05160 11.24  LDD1725 
Nurim (NRM) LDTP08606 7.89  LDD1725 
Prohibitin-2 (PHB2) LDTP10924 6.23  LDD1725 
Proteasome assembly chaperone 1 (PSMG1) LDTP01608 6.23  LDD1725 
Protein C3orf33 (C3orf33) LDTP15110 7.01  LDD1725 
Protein FAM114A2 (FAM114A2) LDTP16080 6.68  LDD1725 
Protein FAM162A (FAM162A) LDTP10056 6.45  LDD1725 
Protein LYRIC (MTDH) LDTP08224 8.00  LDD1725 
Protein misato homolog 1 (MSTO1) LDTP11239 11.08  LDD1725 
Protein YIF1A (YIF1A) LDTP01494 9.06  LDD1725 
Protein YIF1B (YIF1B) LDTP06948 6.59  LDD1725 
Receptor expression-enhancing protein 2 (REEP2) LDTP11113 5.94  LDD1725 
Receptor expression-enhancing protein 3 (REEP3) LDTP15095 5.94  LDD1725 
Reticulocalbin-1 (RCN1) LDTP06352 5.78  LDD1725 
Reticulocalbin-2 (RCN2) LDTP06097 15.14  LDD1725 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 7.67  LDD1725 
Syntaxin-18 (STX18) LDTP13086 9.58  LDD1725 
Tetraspanin-6 (TSPAN6) LDTP14458 12.91  LDD1725 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 6.06  LDD1725 
Transducin beta-like protein 2 (TBL2) LDTP16285 5.90  LDD1725 
Ubiquinol-cytochrome c reductase complex assembly factor 5 (UQCC5) LDTP15634 14.62  LDD1725 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.63  LDD1725 
Vimentin (VIM) LDTP02297 5.82  LDD1725 
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⏷ Show the Full List of 59 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
 LDD1725 
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