Details of the Probe

General Information of Probe

Probe ID
LDPC0485
Probe Name
C252
Synonyms
Z4282859620
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Lipid-water partition coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H23N7O2
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-[6-[(3-methoxyphenyl)methyl]-4-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide
Canonical SMILES
CC1=NN(C2=NNC(=C12)NC(=O)CCC3(N=N3)CCC#C)CC4=CC(=CC=C4)OC
InChI
InChI=1S/C21H23N7O2/c1-4-5-10-21(26-27-21)11-9-17(29)22-19-18-14(2)25-28(20(18)24-23-19)13-15-7-6-8-16(12-15)30-3/h1,6-8,12H,5,9-11,13H2,2-3H3,(H2,22,23,24,29)
InChIKey
XEPHGTPSPCLMBO-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

92 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-hydroxyacyl-CoA lyase 1 (HACL1) LDTP13375 9.13  LDD1925 
5'-nucleotidase domain-containing protein 2 (NT5DC2) LDTP18414 10.63  LDD1925 
Adenosine kinase (ADK) LDTP04689 10.27  LDD1925 
ADP-dependent glucokinase (ADPGK) LDTP11127 29.45  LDD1925 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 18.13  LDD1925 
Antigen peptide transporter 1 (TAP1) LDTP05408 8.57  LDD1925 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 15.03  LDD1925 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 12.73  LDD1925 
ATPase family AAA domain-containing protein 3B (ATAD3B) LDTP07154 8.82  LDD1925 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 22.32  LDD1925 
Carbohydrate sulfotransferase 14 (CHST14) LDTP09096 19.56  LDD1925 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 12.64  LDD1925 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 23.59  LDD1925 
Catechol O-methyltransferase (COMT) LDTP03145 11.39  LDD1925 
Ceramide glucosyltransferase (UGCG) LDTP06617 10.56  LDD1925 
Ceramide synthase 2 (CERS2) LDTP10329 32.67  LDD1925 
Choline kinase alpha (CHKA) LDTP03787 9.78  LDD1925 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 14.22  LDD1925 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 31.12  LDD1925 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 30.48  LDD1925 
Cytochrome b5 type B (CYB5B) LDTP00697 41.93  LDD1925 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 21.41  LDD1925 
Cytochrome P450 20A1 (CYP20A1) LDTP17410 13.36  LDD1925 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 25.28  LDD1925 
Delta(24)-sterol reductase (DHCR24) LDTP06375 12.21  LDD1925 
Dihydrofolate reductase (DHFR) LDTP01769 12.30  LDD1925 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 9.51  LDD1925 
Dolichyldiphosphatase 1 (DOLPP1) LDTP15328 15.24  LDD1925 
E3 ubiquitin-protein ligase UBR2 (UBR2) LDTP08565 31.78  LDD1925 
Endoplasmic reticulum protein SC65 (P3H4) LDTP09874 9.92  LDD1925 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 17.63  LDD1925 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 9.71  LDD1925 
Exonuclease 1 (EXO1) LDTP13751 12.91  LDD1925 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 25.46  LDD1925 
Glutaminyl-peptide cyclotransferase-like protein (QPCTL) LDTP12790 11.08  LDD1925 
Heme oxygenase 1 (HMOX1) LDTP02359 24.08  LDD1925 
Heme oxygenase 2 (HMOX2) LDTP03540 41.07  LDD1925 
Heparan sulfate 2-O-sulfotransferase 1 (HS2ST1) LDTP07990 9.92  LDD1925 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 8.28  LDD1925 
Holocytochrome c-type synthase (HCCS) LDTP04581 11.79  LDD1925 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 23.43  LDD1925 
Kinesin-like protein KIF14 (KIF14) LDTP06303 9.00  LDD1925 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 8.94  LDD1925 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 9.51  LDD1925 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 12.91  LDD1925 
Long-chain-fatty-acid--CoA ligase 6 (ACSL6) LDTP13486 9.65  LDD1925 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 13.00  LDD1925 
Lysophosphatidylcholine acyltransferase 1 (LPCAT1) LDTP09188 8.28  LDD1925 
Lysophospholipid acyltransferase 7 (MBOAT7) LDTP10612 11.63  LDD1925 
Macrophage migration inhibitory factor (MIF) LDTP02713 8.51  LDD1925 
Mannose-6-phosphate isomerase (MPI) LDTP03697 9.45  LDD1925 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 12.04  LDD1925 
Minor histocompatibility antigen H13 (HM13) LDTP09396 28.84  LDD1925 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 12.55  LDD1925 
NADH dehydrogenase 1 alpha subcomplex subunit 11 (NDUFA11) LDTP08385 13.93  LDD1925 
NADH dehydrogenase 1 beta subcomplex subunit 9 (NDUFB9) LDTP14276 9.19  LDD1925 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 24.76  LDD1925 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 28.05  LDD1925 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 17.03  LDD1925 
Peptidyl-prolyl cis-trans isomerase FKBP14 (FKBP14) LDTP12720 8.69  LDD1925 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 16.45  LDD1925 
Peptidyl-prolyl cis-trans isomerase-like 3 (PPIL3) LDTP11823 8.28  LDD1925 
Phenylalanine--tRNA ligase beta subunit (FARSB) LDTP12586 8.75  LDD1925 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 16.45  LDD1925 
Presequence protease, mitochondrial (PITRM1) LDTP07003 8.46  LDD1925 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 9.00  LDD1925 
Prolyl endopeptidase-like (PREPL) LDTP06849 12.64  LDD1925 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 8.69  LDD1925 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.32  LDD1925 
Proteasome subunit beta type-3 (PSMB3) LDTP04284 9.00  LDD1925 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 12.82  LDD1925 
Protein O-GlcNAcase (OGA) LDTP00988 8.46  LDD1925 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 10.56  LDD1925 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 9.45  LDD1925 
Ras-related protein Rab-24 (RAB24) LDTP10020 10.34  LDD1925 
Ras-related protein Rab-5B (RAB5B) LDTP04893 8.46  LDD1925 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 17.39  LDD1925 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 14.42  LDD1925 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 10.13  LDD1925 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 53.45  LDD1925 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 78.25  LDD1925 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 9.99  LDD1925 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 10.06  LDD1925 
Squalene monooxygenase (SQLE) LDTP06142 9.45  LDD1925 
Squalene synthase (FDFT1) LDTP03842 30.70  LDD1925 
STAM-binding protein (STAMBP) LDTP01641 12.13  LDD1925 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 13.45  LDD1925 
Ubiquitin carboxyl-terminal hydrolase 47 (USP47) LDTP10495 8.82  LDD1925 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 12.73  LDD1925 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 8.94  LDD1925 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 9.38  LDD1925 
Xaa-Arg dipeptidase (PM20D2) LDTP08666 9.38  LDD1925 
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⏷ Show the Full List of 92 Enzyme
53 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 16.68  LDD1925 
ATP synthase subunit a (MT-ATP6) LDTP01804 52.35  LDD1925 
ATP synthase subunit g, mitochondrial (ATP5MG) LDTP14511 19.70  LDD1925 
Autophagy-related protein 9A (ATG9A) LDTP08030 8.51  LDD1925 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 19.84  LDD1925 
Derlin-1 (DERL1) LDTP11245 10.78  LDD1925 
Derlin-2 (DERL2) LDTP11634 13.00  LDD1925 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 42.22  LDD1925 
ER membrane protein complex subunit 5 (MMGT1) LDTP08878 13.64  LDD1925 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 31.78  LDD1925 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 8.82  LDD1925 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 17.51  LDD1925 
Melanoma inhibitory activity protein 2 (MIA2) LDTP10669 10.34  LDD1925 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 11.96  LDD1925 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 17.88  LDD1925 
Metaxin-1 (MTX1) LDTP05900 16.34  LDD1925 
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) LDTP11095 9.38  LDD1925 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 9.06  LDD1925 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 9.65  LDD1925 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 20.82  LDD1925 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 8.88  LDD1925 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 99.73  LDD1925 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 39.67  LDD1925 
Mitochondrial import inner membrane translocase subunit Tim23 (TIMM23) LDTP00477 9.51  LDD1925 
Mitochondrial import inner membrane translocase subunit TIM44 (TIMM44) LDTP00821 8.40  LDD1925 
Mitochondrial ornithine transporter 1 (SLC25A15) LDTP14200 8.28  LDD1925 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 23.43  LDD1925 
Mitochondrial thiamine pyrophosphate carrier (SLC25A19) LDTP12210 8.46  LDD1925 
Mpv17-like protein 2 (MPV17L2) LDTP14952 9.78  LDD1925 
Nucleoporin NDC1 (NDC1) LDTP11213 13.83  LDD1925 
PAT complex subunit CCDC47 (CCDC47) LDTP10059 10.48  LDD1925 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 16.22  LDD1925 
PRA1 family protein 2 (PRAF2) LDTP01060 13.64  LDD1925 
Protein FAM8A1 (FAM8A1) LDTP16190 15.03  LDD1925 
Protein GPR107 (GPR107) LDTP07236 19.70  LDD1925 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 12.64  LDD1925 
Reticulon-1 (RTN1) LDTP06633 31.34  LDD1925 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 10.27  LDD1925 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 9.51  LDD1925 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 29.04  LDD1925 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 12.91  LDD1925 
SUN domain-containing protein 1 (SUN1) LDTP01454 8.69  LDD1925 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 14.12  LDD1925 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 32.90  LDD1925 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 11.79  LDD1925 
Transmembrane protein 160 (TMEM160) LDTP20002 19.16  LDD1925 
Transmembrane protein 201 (TMEM201) LDTP07058 9.19  LDD1925 
Transmembrane protein 230 (TMEM230) LDTP10065 10.48  LDD1925 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 15.67  LDD1925 
Vacuole membrane protein 1 (VMP1) LDTP10343 10.63  LDD1925 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 23.75  LDD1925 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 18.13  LDD1925 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 8.57  LDD1925 
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⏷ Show the Full List of 53 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
DnaJ homolog subfamily C member 1 (DNAJC1) LDTP10501 9.06  LDD1925 
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49 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 17.39  LDD1925 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 11.96  LDD1925 
Centrosomal protein 43 (CEP43) LDTP01652 10.85  LDD1925 
Clustered mitochondria protein homolog (CLUH) LDTP14486 10.48  LDD1925 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 10.85  LDD1925 
Cytochrome c oxidase assembly protein COX14 (COX14) LDTP15741 11.31  LDD1925 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 19.97  LDD1925 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 11.08  LDD1925 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 13.18  LDD1925 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 9.99  LDD1925 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 22.01  LDD1925 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 9.92  LDD1925 
Heme-binding protein 1 (HEBP1) LDTP16078 9.78  LDD1925 
Immunoglobulin-binding protein 1 (IGBP1) LDTP05089 10.63  LDD1925 
Keratinocyte-associated transmembrane protein 2 (KCT2) LDTP19780 9.78  LDD1925 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 9.51  LDD1925 
Large proline-rich protein BAG6 (BAG6) LDTP04094 12.21  LDD1925 
Mitochondrial fission process protein 1 (MTFP1) LDTP16192 18.00  LDD1925 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 76.11  LDD1925 
Mitochondrial import receptor subunit TOM5 homolog (TOMM5) LDTP15420 35.75  LDD1925 
Neuferricin (CYB5D2) LDTP15623 12.55  LDD1925 
Nucleobindin-1 (NUCB1) LDTP05375 13.18  LDD1925 
Nucleobindin-2 (NUCB2) LDTP05160 19.56  LDD1925 
Nurim (NRM) LDTP08606 11.08  LDD1925 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 8.82  LDD1925 
Optic atrophy 3 protein (OPA3) LDTP16006 21.11  LDD1925 
Programmed cell death protein 5 (PDCD5) LDTP00417 9.00  LDD1925 
Protein FAM114A2 (FAM114A2) LDTP16080 19.03  LDD1925 
Protein FAM162A (FAM162A) LDTP10056 18.51  LDD1925 
Protein LYRIC (MTDH) LDTP08224 9.00  LDD1925 
Protein unc-119 homolog B (UNC119B) LDTP00105 21.26  LDD1925 
Protein YIF1A (YIF1A) LDTP01494 10.78  LDD1925 
Rap guanine nucleotide exchange factor 2 (RAPGEF2) LDTP14058 9.65  LDD1925 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 8.69  LDD1925 
Reticulon-3 (RTN3) LDTP01522 29.86  LDD1925 
Reticulon-4 (RTN4) LDTP12412 25.99  LDD1925 
RNA binding protein fox-1 homolog 2 (RBFOX2) LDTP00716 10.27  LDD1925 
RNA-binding protein EWS (EWSR1) LDTP05318 10.56  LDD1925 
RNA-binding protein with multiple splicing (RBPMS) LDTP09970 17.15  LDD1925 
RUS family member 1 (RUSF1) LDTP10357 9.65  LDD1925 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 12.82  LDD1925 
Stathmin (STMN1) LDTP02869 9.65  LDD1925 
Synaptogyrin-2 (SYNGR2) LDTP00859 10.93  LDD1925 
Syntaxin-18 (STX18) LDTP13086 10.85  LDD1925 
Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 25.63  LDD1925 
TraB domain-containing protein (TRABD) LDTP19963 15.45  LDD1925 
Trophoblast glycoprotein (TPBG) LDTP05960 25.46  LDD1925 
Tubulin beta-2B chain (TUBB2B) LDTP11277 9.85  LDD1925 
Vimentin (VIM) LDTP02297 8.40  LDD1925 
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⏷ Show the Full List of 49 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
 LDD1925 
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