Details of the Probe

General Information of Probe

Probe ID
LDPC0421
Probe Name
C183
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.441
Lipid-water partition coefficient (xlogp) 3.8771
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C18H18FN5OS
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2nnc(-c3c([H])c([H])c([H])c([H])c3F)s2)C([H])([H])[H])N=N1
InChI
InChI=1S/C18H18FN5OS/c1-3-4-10-18(23-24-18)11-9-15(25)20-12(2)16-21-22-17(26-16)13-7-5-6-8-14(13)19/h1,5-8,12H,4,9-11H2,2H3,(H,20,25)/t12-/m0/s1
InChIKey
ZEFTUHLMULDFIR-LBPRGKRZSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

75 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 8.28  LDD1861 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 7.94  LDD1861 
5'-3' exonuclease PLD3 (PLD3) LDTP08476 7.11  LDD1861 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 13.55  LDD1861 
Acid ceramidase (ASAH1) LDTP05905 5.31  LDD1861 
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 7.62  LDD1861 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 5.28  LDD1861 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 7.41  LDD1861 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 6.59  LDD1861 
Beta-galactosidase (GLB1) LDTP02837 5.13  LDD1861 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 11.96  LDD1861 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 5.10  LDD1861 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 7.46  LDD1861 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 6.19  LDD1861 
Catechol O-methyltransferase (COMT) LDTP03145 5.50  LDD1861 
Ceramide synthase 2 (CERS2) LDTP10329 5.62  LDD1861 
Cytochrome b5 type B (CYB5B) LDTP00697 8.34  LDD1861 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 5.03  LDD1861 
Delta(24)-sterol reductase (DHCR24) LDTP06375 12.55  LDD1861 
Diacylglycerol lipase-beta (DAGLB) LDTP09095 7.52  LDD1861 
Dihydrofolate reductase (DHFR) LDTP01769 20.25  LDD1861 
DNA-directed RNA polymerase III subunit RPC3 (POLR3C) LDTP11237 5.06  LDD1861 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 5.10  LDD1861 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 8.63  LDD1861 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 7.73  LDD1861 
Epoxide hydrolase 1 (EPHX1) LDTP02175 7.67  LDD1861 
Exonuclease 1 (EXO1) LDTP13751 7.11  LDD1861 
GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase (ALG11) LDTP06721 5.03  LDD1861 
Geranylgeranyl transferase type-2 subunit beta (RABGGTB) LDTP04569 4.99  LDD1861 
Glycerol-3-phosphate acyltransferase 1, mitochondrial (GPAM) LDTP12253 5.39  LDD1861 
Heme oxygenase 1 (HMOX1) LDTP02359 11.63  LDD1861 
Heme oxygenase 2 (HMOX2) LDTP03540 22.63  LDD1861 
Lathosterol oxidase (SC5D) LDTP01329 7.62  LDD1861 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.00  LDD1861 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 10.93  LDD1861 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 12.73  LDD1861 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 9.00  LDD1861 
Lysosomal protective protein (CTSA) LDTP02505 11.39  LDD1861 
Mannosyl-oligosaccharide glucosidase (MOGS) LDTP05971 5.94  LDD1861 
Methionine synthase (MTR) LDTP10951 5.54  LDD1861 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 9.85  LDD1861 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 8.46  LDD1861 
N-alpha-acetyltransferase 25, NatB auxiliary subunit (NAA25) LDTP06262 6.28  LDD1861 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 8.11  LDD1861 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 5.74  LDD1861 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 7.52  LDD1861 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 7.21  LDD1861 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 6.23  LDD1861 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 9.85  LDD1861 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 12.64  LDD1861 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 5.03  LDD1861 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 5.86  LDD1861 
Pirin (PIR) LDTP00325 29.04  LDD1861 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 6.45  LDD1861 
Prostaglandin reductase 1 (PTGR1) LDTP06227 13.83  LDD1861 
Prostaglandin reductase 3 (PTGR3) LDTP15422 5.03  LDD1861 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 7.89  LDD1861 
Protein O-GlcNAcase (OGA) LDTP00988 5.50  LDD1861 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 15.14  LDD1861 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 10.34  LDD1861 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 8.11  LDD1861 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 7.01  LDD1861 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 12.04  LDD1861 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 9.06  LDD1861 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 10.13  LDD1861 
Signal peptide peptidase-like 2A (SPPL2A) LDTP09395 10.78  LDD1861 
Sphingolipid delta(4)-desaturase DES1 (DEGS1) LDTP00544 5.13  LDD1861 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 5.03  LDD1861 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 6.28  LDD1861 
Tissue alpha-L-fucosidase (FUCA1) LDTP02006 5.13  LDD1861 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 7.94  LDD1861 
Ubiquitin carboxyl-terminal hydrolase 11 (USP11) LDTP04456 7.78  LDD1861 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 8.00  LDD1861 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 5.28  LDD1861 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 5.54  LDD1861 
------------------------------------------------------------------------------------
⏷ Show the Full List of 75 Enzyme
38 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Acetyl-coenzyme A transporter 1 (SLC33A1) LDTP00262 5.78  LDD1861 
AP-3 complex subunit delta-1 (AP3D1) LDTP00383 9.58  LDD1861 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 6.68  LDD1861 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 32.90  LDD1861 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 11.08  LDD1861 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 5.17  LDD1861 
Lysosome membrane protein 2 (SCARB2) LDTP06034 15.03  LDD1861 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 15.35  LDD1861 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.35  LDD1861 
Metaxin-1 (MTX1) LDTP05900 5.31  LDD1861 
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) LDTP11095 13.09  LDD1861 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 5.86  LDD1861 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 18.13  LDD1861 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 31.34  LDD1861 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 5.24  LDD1861 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 11.63  LDD1861 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.24  LDD1861 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 7.62  LDD1861 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 8.51  LDD1861 
Prosaposin (PSAP) LDTP02215 5.03  LDD1861 
Protein GPR107 (GPR107) LDTP07236 11.31  LDD1861 
Protein tweety homolog 3 (TTYH3) LDTP11615 8.22  LDD1861 
Proton-coupled amino acid transporter 1 (SLC36A1) LDTP08016 5.70  LDD1861 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 10.13  LDD1861 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.32  LDD1861 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 23.26  LDD1861 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 16.34  LDD1861 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 6.68  LDD1861 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 5.17  LDD1861 
Tetraspanin-3 (TSPAN3) LDTP16813 11.88  LDD1861 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.13  LDD1861 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 6.63  LDD1861 
Transmembrane protein 126A (TMEM126A) LDTP15948 22.16  LDD1861 
Transmembrane protein 160 (TMEM160) LDTP20002 6.73  LDD1861 
Transmembrane protein 199 (TMEM199) LDTP08881 13.45  LDD1861 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 9.25  LDD1861 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 10.85  LDD1861 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 12.64  LDD1861 
------------------------------------------------------------------------------------
⏷ Show the Full List of 38 Transporter and channel
33 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 4.99  LDD1861 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 6.59  LDD1861 
Centrin-2 (CETN2) LDTP03926 5.39  LDD1861 
Centrosomal protein 43 (CEP43) LDTP01652 5.50  LDD1861 
Clustered mitochondria protein homolog (CLUH) LDTP14486 12.91  LDD1861 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 5.31  LDD1861 
DENN domain-containing protein 11 (DENND11) LDTP16577 6.54  LDD1861 
DnaJ homolog subfamily C member 16 (DNAJC16) LDTP13863 5.86  LDD1861 
Dymeclin (DYM) LDTP08000 5.13  LDD1861 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 12.21  LDD1861 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 9.32  LDD1861 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 5.03  LDD1861 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 6.54  LDD1861 
Large proline-rich protein BAG6 (BAG6) LDTP04094 5.58  LDD1861 
Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 9.51  LDD1861 
Membralin (TMEM259) LDTP14939 5.03  LDD1861 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.85  LDD1861 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 5.94  LDD1861 
Nucleobindin-1 (NUCB1) LDTP05375 7.21  LDD1861 
Nucleobindin-2 (NUCB2) LDTP05160 17.75  LDD1861 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 5.21  LDD1861 
Protein CEBPZOS (CEBPZOS) LDTP18883 6.11  LDD1861 
Protein FAM162A (FAM162A) LDTP10056 4.99  LDD1861 
Protein FAM3C (FAM3C) LDTP09773 4.92  LDD1861 
Protein SET (SET) LDTP05277 6.32  LDD1861 
Reticulocalbin-2 (RCN2) LDTP06097 5.43  LDD1861 
Reticulon-3 (RTN3) LDTP01522 5.28  LDD1861 
Syntaxin-18 (STX18) LDTP13086 5.94  LDD1861 
Testis-expressed protein 264 (TEX264) LDTP14259 5.74  LDD1861 
Tetraspanin-6 (TSPAN6) LDTP14458 9.06  LDD1861 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 5.54  LDD1861 
Trophoblast glycoprotein (TPBG) LDTP05960 6.06  LDD1861 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.41  LDD1861 
------------------------------------------------------------------------------------
⏷ Show the Full List of 33 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
 LDD1861 
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