Details of the Probe

General Information of Probe

Probe ID
LDPC0445
Probe Name
C211
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 394.519
Lipid-water partition coefficient (xlogp) 3.2341
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H30N4O2
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(OC([H])(C([H])([H])[H])C([H])([H])N(C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])C3([H])[H])C2([H])[H])N=N1
InChI
InChI=1S/C23H30N4O2/c1-3-4-11-23(24-25-23)12-10-21(28)27-14-13-22(18-27)17-26(15-19(2)29-22)16-20-8-6-5-7-9-20/h1,5-9,19H,4,10-18H2,2H3/t19-,22+/m1/s1
InChIKey
LUCVQJLNLARSTR-KNQAVFIVSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

89 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 25.63  LDD1885 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 9.19  LDD1885 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 14.22  LDD1885 
Acid ceramidase (ASAH1) LDTP05905 20.11  LDD1885 
ADP-ribosylation factor-like protein 6 (ARL6) LDTP11708 9.00  LDD1885 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 8.11  LDD1885 
Alpha-galactosidase A (GLA) LDTP02141 9.65  LDD1885 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 11.63  LDD1885 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 8.75  LDD1885 
Beta-galactosidase (GLB1) LDTP02837 8.40  LDD1885 
Beta-galactosidase-1-like protein 2 (GLB1L2) LDTP17633 20.25  LDD1885 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 8.34  LDD1885 
Beta-mannosidase (MANBA) LDTP00282 9.85  LDD1885 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 17.03  LDD1885 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 12.82  LDD1885 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 10.48  LDD1885 
CDGSH iron-sulfur domain-containing protein 1 (CISD1) LDTP12873 8.57  LDD1885 
Choline kinase alpha (CHKA) LDTP03787 8.57  LDD1885 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 11.88  LDD1885 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 13.83  LDD1885 
Cytochrome b5 type B (CYB5B) LDTP00697 10.06  LDD1885 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 9.71  LDD1885 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 12.21  LDD1885 
Delta(24)-sterol reductase (DHCR24) LDTP06375 10.13  LDD1885 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 10.78  LDD1885 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.38  LDD1885 
Exonuclease 1 (EXO1) LDTP13751 8.11  LDD1885 
Glutathione S-transferase A4 (GSTA4) LDTP00575 81.57  LDD1885 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 12.04  LDD1885 
Heme oxygenase 1 (HMOX1) LDTP02359 12.55  LDD1885 
Heme oxygenase 2 (HMOX2) LDTP03540 41.64  LDD1885 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 14.52  LDD1885 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 17.63  LDD1885 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 15.45  LDD1885 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 32.67  LDD1885 
Long-chain-fatty-acid--CoA ligase 6 (ACSL6) LDTP13486 9.58  LDD1885 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 9.06  LDD1885 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 12.38  LDD1885 
Lysosomal alpha-glucosidase (GAA) LDTP02486 9.06  LDD1885 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 16.45  LDD1885 
Lysosomal protective protein (CTSA) LDTP02505 18.25  LDD1885 
Lysosomal thioesterase PPT2 (PPT2) LDTP13620 21.86  LDD1885 
Methionine aminopeptidase 1 (METAP1) LDTP04565 8.34  LDD1885 
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) LDTP13195 7.94  LDD1885 
Multidrug resistance-associated protein 1 (ABCC1) LDTP03671 9.06  LDD1885 
N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 22.01  LDD1885 
N-alpha-acetyltransferase 40 (NAA40) LDTP08265 14.22  LDD1885 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 85.04  LDD1885 
NAD-dependent protein deacetylase sirtuin-2 (SIRT2) LDTP08598 7.84  LDD1885 
NADH dehydrogenase 1 alpha subcomplex subunit 7 (NDUFA7) LDTP01518 10.13  LDD1885 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 48.50  LDD1885 
NADH dehydrogenase 1 beta subcomplex subunit 4 (NDUFB4) LDTP01514 8.06  LDD1885 
NADH dehydrogenase iron-sulfur protein 2, mitochondrial (NDUFS2) LDTP01168 14.93  LDD1885 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 78.79  LDD1885 
Obg-like ATPase 1 (OLA1) LDTP12610 19.70  LDD1885 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 35.51  LDD1885 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 12.38  LDD1885 
Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (PAOX) LDTP07620 17.88  LDD1885 
Phospholipase A2 group XV (PLA2G15) LDTP09088 8.46  LDD1885 
Plasma alpha-L-fucosidase (FUCA2) LDTP11215 9.92  LDD1885 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 14.62  LDD1885 
Prenylcysteine oxidase-like (PCYOX1L) LDTP15480 8.75  LDD1885 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 13.74  LDD1885 
Prostaglandin reductase 3 (PTGR3) LDTP15422 31.12  LDD1885 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 12.30  LDD1885 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 9.71  LDD1885 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 24.93  LDD1885 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 13.18  LDD1885 
Protein O-mannosyl-transferase TMTC3 (TMTC3) LDTP07868 8.51  LDD1885 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 15.45  LDD1885 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 9.32  LDD1885 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 17.63  LDD1885 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 38.05  LDD1885 
Ribonuclease T2 (RNASET2) LDTP00316 9.85  LDD1885 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 8.75  LDD1885 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 12.13  LDD1885 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 11.71  LDD1885 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 13.93  LDD1885 
Synaptobrevin homolog YKT6 (YKT6) LDTP00654 11.16  LDD1885 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 14.03  LDD1885 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 9.38  LDD1885 
TLC domain-containing protein 1 (TLCD1) LDTP10182 10.20  LDD1885 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 10.27  LDD1885 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 10.41  LDD1885 
Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 8.88  LDD1885 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 16.11  LDD1885 
tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase (FTSJ1) LDTP13200 7.84  LDD1885 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 14.42  LDD1885 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 32.45  LDD1885 
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⏷ Show the Full List of 89 Enzyme
50 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Amyloid-beta precursor protein (APP) LDTP02071 10.63  LDD1885 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 36.00  LDD1885 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 98.36  LDD1885 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 43.11  LDD1885 
Exportin-4 (XPO4) LDTP11607 11.47  LDD1885 
Importin-7 (IPO7) LDTP01574 13.18  LDD1885 
Importin-8 (IPO8) LDTP00630 7.78  LDD1885 
Importin-9 (IPO9) LDTP10663 9.51  LDD1885 
Integral membrane protein 2C (ITM2C) LDTP12451 8.00  LDD1885 
Lysosome membrane protein 2 (SCARB2) LDTP06034 13.00  LDD1885 
Lysosome-associated membrane glycoprotein 2 (LAMP2) LDTP02655 9.65  LDD1885 
Metaxin-1 (MTX1) LDTP05900 8.75  LDD1885 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.94  LDD1885 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 35.51  LDD1885 
Mitochondrial import inner membrane translocase subunit Tim22 (TIMM22) LDTP14099 14.62  LDD1885 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 15.24  LDD1885 
Mitochondrial potassium channel ATP-binding subunit (ABCB8) LDTP12644 8.22  LDD1885 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 67.18  LDD1885 
Mpv17-like protein 2 (MPV17L2) LDTP14952 10.34  LDD1885 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 9.45  LDD1885 
Nucleoporin NDC1 (NDC1) LDTP11213 8.22  LDD1885 
Phosphatidylinositol transfer protein alpha isoform (PITPNA) LDTP05236 13.36  LDD1885 
Prosaposin (PSAP) LDTP02215 25.28  LDD1885 
Protein FAM8A1 (FAM8A1) LDTP16190 18.90  LDD1885 
Protein GPR107 (GPR107) LDTP07236 22.47  LDD1885 
Proton-coupled zinc antiporter SLC30A5 (SLC30A5) LDTP09294 8.17  LDD1885 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 15.56  LDD1885 
Secretory carrier-associated membrane protein 2 (SCAMP2) LDTP00547 8.11  LDD1885 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 33.13  LDD1885 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 11.63  LDD1885 
Solute carrier family 25 member 44 (SLC25A44) LDTP15733 13.27  LDD1885 
Stomatin (STOM) LDTP03380 8.75  LDD1885 
SUN domain-containing protein 2 (SUN2) LDTP13256 10.78  LDD1885 
Surfeit locus protein 4 (SURF4) LDTP00592 10.85  LDD1885 
Synaptojanin-2-binding protein (SYNJ2BP) LDTP04789 16.00  LDD1885 
Syntenin-1 (SDCBP) LDTP00310 12.73  LDD1885 
Tetraspanin-3 (TSPAN3) LDTP16813 17.75  LDD1885 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 23.10  LDD1885 
Translocator protein (TSPO) LDTP03546 9.38  LDD1885 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 9.58  LDD1885 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 9.25  LDD1885 
Transmembrane protein 126A (TMEM126A) LDTP15948 27.67  LDD1885 
Transmembrane protein 160 (TMEM160) LDTP20002 23.26  LDD1885 
Transmembrane protein 199 (TMEM199) LDTP08881 20.11  LDD1885 
Transmembrane protein 59 (TMEM59) LDTP11406 16.91  LDD1885 
Transmembrane protein 87A (TMEM87A) LDTP15481 13.93  LDD1885 
V-type proton ATPase subunit S1 (ATP6AP1) LDTP06499 9.19  LDD1885 
Vang-like protein 1 (VANGL1) LDTP09288 9.58  LDD1885 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 54.95  LDD1885 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 37.27  LDD1885 
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⏷ Show the Full List of 50 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 7.94  LDD1885 
Y-box-binding protein 1 (YBX1) LDTP05065 8.22  LDD1885 
------------------------------------------------------------------------------------
51 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Adapter molecule crk (CRK) LDTP04091 9.19  LDD1885 
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 12.64  LDD1885 
Apolipoprotein L2 (APOL2) LDTP11076 20.39  LDD1885 
Bombesin receptor-activated protein C6orf89 (C6orf89) LDTP07681 20.39  LDD1885 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 16.34  LDD1885 
Calmodulin-3 (CALM3) LDTP02443 8.06  LDD1885 
Calumenin (CALU) LDTP00887 10.13  LDD1885 
Clustered mitochondria protein homolog (CLUH) LDTP14486 15.03  LDD1885 
COP9 signalosome complex subunit 7a (COPS7A) LDTP13170 9.13  LDD1885 
Cytoplasmic dynein 2 intermediate chain 2 (DYNC2I2) LDTP10281 9.71  LDD1885 
DnaJ homolog subfamily B member 11 (DNAJB11) LDTP13152 8.17  LDD1885 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 27.67  LDD1885 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 10.56  LDD1885 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 20.25  LDD1885 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 36.76  LDD1885 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 8.28  LDD1885 
Ferritin light chain (FTL) LDTP01973 8.00  LDD1885 
Galectin-3-binding protein (LGALS3BP) LDTP05558 9.19  LDD1885 
Ganglioside GM2 activator (GM2A) LDTP02927 13.83  LDD1885 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 11.00  LDD1885 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 9.06  LDD1885 
Large proline-rich protein BAG6 (BAG6) LDTP04094 12.73  LDD1885 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 50.21  LDD1885 
Microtubule nucleation factor SSNA1 (SSNA1) LDTP00871 9.00  LDD1885 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 39.12  LDD1885 
Nicastrin (NCSTN) LDTP09787 8.06  LDD1885 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 9.58  LDD1885 
Nucleobindin-1 (NUCB1) LDTP05375 15.89  LDD1885 
Nucleobindin-2 (NUCB2) LDTP05160 80.45  LDD1885 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 11.47  LDD1885 
Protein CEBPZOS (CEBPZOS) LDTP18883 37.53  LDD1885 
Protein CutA (CUTA) LDTP01075 23.10  LDD1885 
Protein FAM114A2 (FAM114A2) LDTP16080 7.94  LDD1885 
Protein FAM162A (FAM162A) LDTP10056 11.79  LDD1885 
Protein PBDC1 (PBDC1) LDTP19924 9.00  LDD1885 
Protein SYS1 homolog (SYS1) LDTP08796 10.13  LDD1885 
Protein unc-119 homolog B (UNC119B) LDTP00105 22.94  LDD1885 
Protein YIF1A (YIF1A) LDTP01494 8.06  LDD1885 
Protocadherin Fat 1 (FAT1) LDTP06134 9.13  LDD1885 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 14.52  LDD1885 
RNA polymerase II-associated protein 1 (RPAP1) LDTP11327 10.56  LDD1885 
RNA-binding protein 3 (RBM3) LDTP05226 9.65  LDD1885 
RNA-binding protein 5 (RBM5) LDTP04527 8.34  LDD1885 
Superkiller complex protein 3 (SKIC3) LDTP07574 11.16  LDD1885 
Tetraspanin-6 (TSPAN6) LDTP14458 17.75  LDD1885 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 14.03  LDD1885 
Trophoblast glycoprotein (TPBG) LDTP05960 9.92  LDD1885 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 13.93  LDD1885 
Ubiquitin-associated protein 2 (UBAP2) LDTP07132 8.82  LDD1885 
WD repeat and coiled-coil-containing protein (WDCP) LDTP11995 7.84  LDD1885 
Zinc finger CCHC domain-containing protein 3 (ZCCHC3) LDTP12623 9.32  LDD1885 
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⏷ Show the Full List of 51 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
 LDD1885 
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