Details of the Probe

General Information of Probe

Probe ID
LDPC0641
Probe Name
C426
Synonyms
Z4286591601
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 404.4
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C22H17FN4O3
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
Canonical SMILES
C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H17FN4O3/c1-2-3-10-22(25-26-22)11-12-24-19(28)14-4-9-17-18(13-14)21(30)27(20(17)29)16-7-5-15(23)6-8-16/h1,4-9,13H,3,10-12H2,(H,24,28)
InChIKey
OPBHCUPWLXJSTO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

72 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
1-acyl-sn-glycerol-3-phosphate acyltransferase alpha (AGPAT1) LDTP11012 17.03  LDD2081 
2-hydroxyacyl-CoA lyase 2 (ILVBL) LDTP00032 14.83  LDD2081 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 74.54  LDD2081 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 20.82  LDD2081 
Acid ceramidase (ASAH1) LDTP05905 19.16  LDD2081 
Acyl-protein thioesterase 1 (LYPLA1) LDTP01273 39.95  LDD2081 
Adenosine kinase (ADK) LDTP04689 54.95  LDD2081 
ADP-dependent glucokinase (ADPGK) LDTP11127 28.64  LDD2081 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 18.00  LDD2081 
Alkyldihydroxyacetonephosphate synthase, peroxisomal (AGPS) LDTP00186 16.68  LDD2081 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 13.18  LDD2081 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 12.82  LDD2081 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 17.63  LDD2081 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 22.01  LDD2081 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 24.59  LDD2081 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 14.22  LDD2081 
Catechol O-methyltransferase (COMT) LDTP03145 13.36  LDD2081 
Ceramide synthase 2 (CERS2) LDTP10329 28.05  LDD2081 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 22.01  LDD2081 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 22.78  LDD2081 
Cytochrome b-c1 complex subunit Rieske, mitochondrial (UQCRFS1) LDTP04144 13.45  LDD2081 
Cytochrome b5 type B (CYB5B) LDTP00697 49.87  LDD2081 
Delta(24)-sterol reductase (DHCR24) LDTP06375 13.36  LDD2081 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A (STT3A) LDTP04120 12.82  LDD2081 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 86.82  LDD2081 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 24.08  LDD2081 
Epoxide hydrolase 1 (EPHX1) LDTP02175 60.13  LDD2081 
Ferrochelatase, mitochondrial (FECH) LDTP03198 14.52  LDD2081 
Geranylgeranyl transferase type-2 subunit alpha (RABGGTA) LDTP09845 15.56  LDD2081 
Heme A synthase COX15 (COX15) LDTP07931 14.03  LDD2081 
Heme oxygenase 1 (HMOX1) LDTP02359 34.06  LDD2081 
Heme oxygenase 2 (HMOX2) LDTP03540 41.07  LDD2081 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 21.56  LDD2081 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 30.06  LDD2081 
Lanosterol synthase (LSS) LDTP04183 13.09  LDD2081 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 13.83  LDD2081 
Lysosomal acid glucosylceramidase (GBA1) LDTP02005 25.81  LDD2081 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 14.22  LDD2081 
Minor histocompatibility antigen H13 (HM13) LDTP09396 27.67  LDD2081 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 24.59  LDD2081 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 13.93  LDD2081 
NAD-dependent protein deacetylase sirtuin-2 (SIRT2) LDTP08598 14.12  LDD2081 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 74.03  LDD2081 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 17.39  LDD2081 
NADPH--cytochrome P450 reductase (POR) LDTP02848 16.45  LDD2081 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 13.93  LDD2081 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 17.63  LDD2081 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 16.56  LDD2081 
Phospholipase A2 group XV (PLA2G15) LDTP09088 29.04  LDD2081 
Polypeptide N-acetylgalactosaminyltransferase 1 (GALNT1) LDTP05624 12.64  LDD2081 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 85.63  LDD2081 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 17.88  LDD2081 
Prostaglandin reductase 3 (PTGR3) LDTP15422 98.36  LDD2081 
Protein farnesyltransferase subunit beta (FNTB) LDTP04247 17.88  LDD2081 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 52.35  LDD2081 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 17.03  LDD2081 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 55.72  LDD2081 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 56.89  LDD2081 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 14.03  LDD2081 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 13.55  LDD2081 
Serine palmitoyltransferase 1 (SPTLC1) LDTP00597 13.18  LDD2081 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 26.35  LDD2081 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 20.82  LDD2081 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 15.56  LDD2081 
Squalene synthase (FDFT1) LDTP03842 34.06  LDD2081 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 13.83  LDD2081 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 13.36  LDD2081 
Ubiquitin carboxyl-terminal hydrolase 14 (USP14) LDTP04618 19.84  LDD2081 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 99.73  LDD2081 
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 12.73  LDD2081 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 15.56  LDD2081 
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (PDK3) LDTP06322 19.70  LDD2081 
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⏷ Show the Full List of 72 Enzyme
60 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 20.11  LDD2081 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 35.75  LDD2081 
BRI3-binding protein (BRI3BP) LDTP15648 17.15  LDD2081 
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (COX4I1) LDTP02645 13.45  LDD2081 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 44.63  LDD2081 
Derlin-1 (DERL1) LDTP11245 14.03  LDD2081 
Gasdermin-E (GSDME) LDTP00970 13.55  LDD2081 
Hippocampus abundant transcript-like protein 1 (MFSD14B) LDTP07063 26.91  LDD2081 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 12.73  LDD2081 
Lysosome membrane protein 2 (SCARB2) LDTP06034 22.94  LDD2081 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 15.35  LDD2081 
Major facilitator superfamily domain-containing protein 10 (MFSD10) LDTP06198 12.64  LDD2081 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 15.67  LDD2081 
Major facilitator superfamily domain-containing protein 8 (MFSD8) LDTP09261 31.78  LDD2081 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 14.93  LDD2081 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 34.54  LDD2081 
Metaxin-1 (MTX1) LDTP05900 18.64  LDD2081 
Metaxin-2 (MTX2) LDTP01217 22.32  LDD2081 
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) LDTP11095 20.68  LDD2081 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 18.25  LDD2081 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 17.63  LDD2081 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 13.18  LDD2081 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 24.42  LDD2081 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 16.91  LDD2081 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 99.73  LDD2081 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 99.73  LDD2081 
Mitochondrial inner membrane protein OXA1L (OXA1L) LDTP06308 14.12  LDD2081 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 14.93  LDD2081 
Mitochondrial proton/calcium exchanger protein (LETM1) LDTP01525 17.88  LDD2081 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 87.43  LDD2081 
Mpv17-like protein 2 (MPV17L2) LDTP14952 81.01  LDD2081 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 25.11  LDD2081 
Nucleoporin NDC1 (NDC1) LDTP11213 14.83  LDD2081 
PAT complex subunit CCDC47 (CCDC47) LDTP10059 12.91  LDD2081 
Peroxisomal membrane protein PEX14 (PEX14) LDTP01200 13.45  LDD2081 
Prosaposin (PSAP) LDTP02215 14.03  LDD2081 
Protein GPR107 (GPR107) LDTP07236 27.47  LDD2081 
Protein GPR108 (GPR108) LDTP12383 35.26  LDD2081 
Protein tweety homolog 3 (TTYH3) LDTP11615 18.25  LDD2081 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 17.51  LDD2081 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 22.16  LDD2081 
Sideroflexin-4 (SFXN4) LDTP07531 28.44  LDD2081 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 32.00  LDD2081 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 14.03  LDD2081 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 27.86  LDD2081 
Sorting and assembly machinery component 50 homolog (SAMM50) LDTP14084 13.83  LDD2081 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 71.51  LDD2081 
Surfeit locus protein 4 (SURF4) LDTP00592 14.22  LDD2081 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 14.72  LDD2081 
Translocator protein (TSPO) LDTP03546 60.13  LDD2081 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 46.53  LDD2081 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 22.16  LDD2081 
Transmembrane protein 126A (TMEM126A) LDTP15948 41.93  LDD2081 
Transmembrane protein 199 (TMEM199) LDTP08881 61.39  LDD2081 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 26.91  LDD2081 
Vacuole membrane protein 1 (VMP1) LDTP10343 14.83  LDD2081 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 49.87  LDD2081 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 54.95  LDD2081 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 12.64  LDD2081 
Zinc transporter 7 (SLC30A7) LDTP09180 14.72  LDD2081 
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⏷ Show the Full List of 60 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basigin (BSG) LDTP03772 14.83  LDD2081 
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35 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 40.79  LDD2081 
Ankyrin repeat domain-containing protein 17 (ANKRD17) LDTP01155 19.70  LDD2081 
Apolipoprotein L2 (APOL2) LDTP11076 48.17  LDD2081 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 29.04  LDD2081 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 50.56  LDD2081 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 17.03  LDD2081 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 41.36  LDD2081 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 22.01  LDD2081 
Large proline-rich protein BAG6 (BAG6) LDTP04094 16.80  LDD2081 
Matrix-remodeling-associated protein 7 (MXRA7) LDTP17003 12.91  LDD2081 
Membralin (TMEM259) LDTP14939 21.41  LDD2081 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 99.73  LDD2081 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 43.11  LDD2081 
Myosin light chain 6B (MYL6B) LDTP02736 49.18  LDD2081 
Negative elongation factor C/D (NELFCD) LDTP08594 17.63  LDD2081 
Neudesin (NENF) LDTP13630 13.83  LDD2081 
Neuferricin (CYB5D2) LDTP15623 13.00  LDD2081 
Nucleobindin-2 (NUCB2) LDTP05160 20.53  LDD2081 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 15.03  LDD2081 
Protein CutA (CUTA) LDTP01075 16.11  LDD2081 
Protein FAM114A2 (FAM114A2) LDTP16080 20.11  LDD2081 
Protein FAM162A (FAM162A) LDTP10056 33.59  LDD2081 
Protein SET (SET) LDTP05277 19.03  LDD2081 
Protein unc-119 homolog B (UNC119B) LDTP00105 50.21  LDD2081 
Reticulon-3 (RTN3) LDTP01522 48.84  LDD2081 
Reticulon-4 (RTN4) LDTP12412 27.28  LDD2081 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 22.32  LDD2081 
Synaptogyrin-2 (SYNGR2) LDTP00859 15.03  LDD2081 
Syntaxin-18 (STX18) LDTP13086 18.77  LDD2081 
Tetraspanin-6 (TSPAN6) LDTP14458 23.26  LDD2081 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 22.94  LDD2081 
TraB domain-containing protein (TRABD) LDTP19963 21.71  LDD2081 
Transmembrane protein 209 (TMEM209) LDTP18272 19.56  LDD2081 
Tumor protein D52 (TPD52) LDTP04703 15.67  LDD2081 
Zinc finger CCCH domain-containing protein 7A (ZC3H7A) LDTP15345 16.11  LDD2081 
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⏷ Show the Full List of 35 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
 LDD2081 
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