Details of the Probe

General Information of Probe

Probe ID
LDPC0450
Probe Name
C216
Synonyms
Z4286591497
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 337.4
Lipid-water partition coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H19N7O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
Canonical SMILES
CC1=C(C(=C(C=C1)C(=O)NCCC2(N=N2)CCC#C)N3C=NN=N3)C
InChI
InChI=1S/C17H19N7O/c1-4-5-8-17(20-21-17)9-10-18-16(25)14-7-6-12(2)13(3)15(14)24-11-19-22-23-24/h1,6-7,11H,5,8-10H2,2-3H3,(H,18,25)
InChIKey
AJTKUTIUWADWKG-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

49 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 28.84  LDD1890 
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 7.94  LDD1890 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 6.32  LDD1890 
Atlastin-2 (ATL2) LDTP09251 5.17  LDD1890 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 7.41  LDD1890 
Calcium/calmodulin-dependent protein kinase type II subunit gamma (CAMK2G) LDTP05920 6.54  LDD1890 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 12.73  LDD1890 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 12.91  LDD1890 
Cytochrome b5 type B (CYB5B) LDTP00697 5.82  LDD1890 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.66  LDD1890 
Delta(24)-sterol reductase (DHCR24) LDTP06375 4.96  LDD1890 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 6.92  LDD1890 
Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 6.06  LDD1890 
Endoplasmic reticulum transmembrane helix translocase (ATP13A1) LDTP12279 5.43  LDD1890 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.45  LDD1890 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 17.27  LDD1890 
Ferrochelatase, mitochondrial (FECH) LDTP03198 17.39  LDD1890 
Heme oxygenase 2 (HMOX2) LDTP03540 8.17  LDD1890 
Histone-lysine N-methyltransferase 2A (KMT2A) LDTP05396 15.89  LDD1890 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 7.11  LDD1890 
Holocytochrome c-type synthase (HCCS) LDTP04581 5.62  LDD1890 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 8.11  LDD1890 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 6.15  LDD1890 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.58  LDD1890 
Macrophage migration inhibitory factor (MIF) LDTP02713 11.24  LDD1890 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 6.28  LDD1890 
Mitotic checkpoint serine/threonine-protein kinase BUB1 beta (BUB1B) LDTP01004 5.06  LDD1890 
Multidrug resistance-associated protein 1 (ABCC1) LDTP03671 44.94  LDD1890 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 5.50  LDD1890 
N-alpha-acetyltransferase 35, NatC auxiliary subunit (NAA35) LDTP07259 7.21  LDD1890 
N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1) LDTP11273 9.38  LDD1890 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 13.27  LDD1890 
Peptidyl-prolyl cis-trans isomerase FKBP7 (FKBP7) LDTP14218 10.13  LDD1890 
Phospholipase A-2-activating protein (PLAA) LDTP13814 5.86  LDD1890 
Phospholipase A2 group XV (PLA2G15) LDTP09088 9.06  LDD1890 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.01  LDD1890 
Proteasome subunit alpha type-6 (PSMA6) LDTP04884 4.99  LDD1890 
Proteasome subunit beta type-1 (PSMB1) LDTP03060 5.43  LDD1890 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 9.13  LDD1890 
Proteasome subunit beta type-6 (PSMB6) LDTP03418 8.57  LDD1890 
Protein O-GlcNAcase (OGA) LDTP00988 7.26  LDD1890 
Protein-S-isoprenylcysteine O-methyltransferase (ICMT) LDTP01039 7.73  LDD1890 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 6.32  LDD1890 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 8.11  LDD1890 
S-adenosylhomocysteine hydrolase-like protein 1 (AHCYL1) LDTP00890 5.62  LDD1890 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 12.55  LDD1890 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit epsilon isoform (PPP2R5E) LDTP06546 6.59  LDD1890 
Squalene synthase (FDFT1) LDTP03842 6.92  LDD1890 
Transmembrane protein with metallophosphoesterase domain (TMPPE) LDTP07831 7.01  LDD1890 
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⏷ Show the Full List of 49 Enzyme
31 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit a (MT-ATP6) LDTP01804 19.97  LDD1890 
BRI3-binding protein (BRI3BP) LDTP15648 9.38  LDD1890 
Calcium uptake protein 1, mitochondrial (MICU1) LDTP11041 6.02  LDD1890 
Calcium uptake protein 2, mitochondrial (MICU2) LDTP08673 5.50  LDD1890 
Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 5.03  LDD1890 
Cytochrome c oxidase assembly protein COX18, mitochondrial (COX18) LDTP08981 5.90  LDD1890 
Cytochrome c oxidase subunit 5A, mitochondrial (COX5A) LDTP03064 5.74  LDD1890 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 6.68  LDD1890 
Magnesium transporter NIPA3 (NIPAL1) LDTP17362 12.13  LDD1890 
Major facilitator superfamily domain-containing protein 3 (MFSD3) LDTP18153 5.28  LDD1890 
Metaxin-1 (MTX1) LDTP05900 13.00  LDD1890 
Metaxin-2 (MTX2) LDTP01217 10.48  LDD1890 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 12.91  LDD1890 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 18.38  LDD1890 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 16.56  LDD1890 
Mitochondrial S-adenosylmethionine carrier protein (SLC25A26) LDTP07885 5.78  LDD1890 
Mpv17-like protein 2 (MPV17L2) LDTP14952 19.70  LDD1890 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 16.34  LDD1890 
Protein GPR107 (GPR107) LDTP07236 12.73  LDD1890 
Protein tweety homolog 3 (TTYH3) LDTP11615 6.87  LDD1890 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 7.26  LDD1890 
Signal recognition particle subunit SRP68 (SRP68) LDTP13262 5.74  LDD1890 
Sodium-dependent neutral amino acid transporter B(0)AT2 (SLC6A15) LDTP11826 8.94  LDD1890 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 6.23  LDD1890 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 10.78  LDD1890 
STARD3 N-terminal-like protein (STARD3NL) LDTP01671 7.11  LDD1890 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 5.90  LDD1890 
Transmembrane protein 126A (TMEM126A) LDTP15948 9.71  LDD1890 
Transmembrane protein 199 (TMEM199) LDTP08881 11.31  LDD1890 
Transmembrane protein 87A (TMEM87A) LDTP15481 5.90  LDD1890 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 5.46  LDD1890 
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⏷ Show the Full List of 31 Transporter and channel
1 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
IgG receptor FcRn large subunit p51 (FCGRT) LDTP04720 5.10  LDD1890 
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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 5.13  LDD1890 
Apolipoprotein L2 (APOL2) LDTP11076 5.28  LDD1890 
Centrosomal protein 43 (CEP43) LDTP01652 5.17  LDD1890 
Clustered mitochondria protein homolog (CLUH) LDTP14486 13.00  LDD1890 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 4.99  LDD1890 
Cytochrome c oxidase assembly factor 3 homolog, mitochondrial (COA3) LDTP13902 9.85  LDD1890 
Dynactin subunit 3 (DCTN3) LDTP01359 5.28  LDD1890 
Dyslexia-associated protein KIAA0319-like protein (KIAA0319L) LDTP08689 5.46  LDD1890 
EF-hand calcium-binding domain-containing protein 14 (EFCAB14) LDTP19021 6.82  LDD1890 
Endoplasmic reticulum-Golgi intermediate compartment protein 3 (ERGIC3) LDTP13828 6.02  LDD1890 
Engulfment and cell motility protein 2 (ELMO2) LDTP10469 9.65  LDD1890 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 6.45  LDD1890 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 10.48  LDD1890 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.17  LDD1890 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.82  LDD1890 
Large proline-rich protein BAG6 (BAG6) LDTP04094 7.36  LDD1890 
Microtubule nucleation factor SSNA1 (SSNA1) LDTP00871 5.90  LDD1890 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 6.45  LDD1890 
Neuferricin (CYB5D2) LDTP15623 11.16  LDD1890 
Nicastrin (NCSTN) LDTP09787 6.32  LDD1890 
Nucleobindin-2 (NUCB2) LDTP05160 5.10  LDD1890 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 23.26  LDD1890 
Proline-, glutamic acid- and leucine-rich protein 1 (PELP1) LDTP08707 5.54  LDD1890 
Protein FAM162A (FAM162A) LDTP10056 8.82  LDD1890 
Protein unc-119 homolog A (UNC119) LDTP05868 6.96  LDD1890 
Pumilio homolog 1 (PUM1) LDTP06174 9.06  LDD1890 
Reticulocalbin-2 (RCN2) LDTP06097 5.10  LDD1890 
Reticulon-3 (RTN3) LDTP01522 6.82  LDD1890 
Retinol-binding protein 1 (RBP1) LDTP02345 5.82  LDD1890 
Small ribosomal subunit protein uS9m (MRPS9) LDTP14792 14.62  LDD1890 
U6 snRNA-associated Sm-like protein LSm7 (LSM7) LDTP13425 6.96  LDD1890 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 11.55  LDD1890 
Vacuolar protein sorting-associated protein 52 homolog (VPS52) LDTP08766 4.92  LDD1890 
Vimentin (VIM) LDTP02297 5.70  LDD1890 
WASH complex subunit 5 (WASHC5) LDTP05641 6.92  LDD1890 
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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
 LDD1890 
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