Details of the Probe

General Information of Probe

Probe ID
LDPC0546
Probe Name
C320
Synonyms
Z3433407529
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 336.4
Lipid-water partition coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H20N6O
IUPAC Name
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,5-dimethyl-1-pyrimidin-2-ylpyrrole-3-carboxamide
Canonical SMILES
CC1=CC(=C(N1C2=NC=CC=N2)C)C(=O)NCCC3(N=N3)CCC#C
InChI
InChI=1S/C18H20N6O/c1-4-5-7-18(22-23-18)8-11-19-16(25)15-12-13(2)24(14(15)3)17-20-9-6-10-21-17/h1,6,9-10,12H,5,7-8,11H2,2-3H3,(H,19,25)
InChIKey
IONDCEDKRZCFIZ-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

27 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.62  LDD1986 
Adenosine deaminase (ADA) LDTP01803 8.06  LDD1986 
ADP-dependent glucokinase (ADPGK) LDTP11127 5.35  LDD1986 
ATP-dependent translocase ABCB1 (ABCB1) LDTP02254 7.11  LDD1986 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 6.87  LDD1986 
Ceramide synthase 2 (CERS2) LDTP10329 6.50  LDD1986 
Choline kinase alpha (CHKA) LDTP03787 7.06  LDD1986 
Cytochrome b5 type B (CYB5B) LDTP00697 5.43  LDD1986 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 6.45  LDD1986 
FAD-dependent oxidoreductase domain-containing protein 1 (FOXRED1) LDTP10188 9.65  LDD1986 
Ferrochelatase, mitochondrial (FECH) LDTP03198 6.68  LDD1986 
Fumarylacetoacetase (FAH) LDTP02868 7.41  LDD1986 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 7.01  LDD1986 
Leucyl-cystinyl aminopeptidase (LNPEP) LDTP13358 6.68  LDD1986 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 11.24  LDD1986 
Lysophosphatidic acid phosphatase type 6 (ACP6) LDTP12363 6.32  LDD1986 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 5.98  LDD1986 
Multidrug resistance-associated protein 1 (ABCC1) LDTP03671 5.78  LDD1986 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 5.82  LDD1986 
Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 7.11  LDD1986 
Prostaglandin reductase 2 (PTGR2) LDTP08979 8.82  LDD1986 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 5.28  LDD1986 
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (FNTA) LDTP04246 5.70  LDD1986 
Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.19  LDD1986 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 6.11  LDD1986 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 6.06  LDD1986 
V-type proton ATPase 116 kDa subunit a 2 (ATP6V0A2) LDTP14030 6.41  LDD1986 
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⏷ Show the Full List of 27 Enzyme
16 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cysteine protease ATG4B (ATG4B) LDTP14068 8.06  LDD1986 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 14.03  LDD1986 
Exocyst complex component 2 (EXOC2) LDTP10513 5.86  LDD1986 
Lysosome membrane protein 2 (SCARB2) LDTP06034 5.54  LDD1986 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 8.11  LDD1986 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 15.24  LDD1986 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 19.70  LDD1986 
Protein GPR107 (GPR107) LDTP07236 5.98  LDD1986 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 14.52  LDD1986 
Solute carrier family 35 member F2 (SLC35F2) LDTP17641 5.62  LDD1986 
Transmembrane protein 126A (TMEM126A) LDTP15948 8.94  LDD1986 
Transmembrane protein 199 (TMEM199) LDTP08881 6.63  LDD1986 
Transmembrane protein 205 (TMEM205) LDTP07667 7.16  LDD1986 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 5.70  LDD1986 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.26  LDD1986 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.54  LDD1986 
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⏷ Show the Full List of 16 Transporter and channel
25 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 5.46  LDD1986 
Arfaptin-1 (ARFIP1) LDTP04558 6.54  LDD1986 
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 10.56  LDD1986 
Clustered mitochondria protein homolog (CLUH) LDTP14486 10.20  LDD1986 
Diablo IAP-binding mitochondrial protein (DIABLO) LDTP12468 5.86  LDD1986 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 5.21  LDD1986 
GTPase-activating protein and VPS9 domain-containing protein 1 (GAPVD1) LDTP06255 5.62  LDD1986 
HAUS augmin-like complex subunit 4 (HAUS4) LDTP11978 6.41  LDD1986 
Hepatoma-derived growth factor (HDGF) LDTP04483 16.80  LDD1986 
Hepatoma-derived growth factor-related protein 2 (HDGFL2) LDTP08081 34.30  LDD1986 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 5.35  LDD1986 
Large proline-rich protein BAG6 (BAG6) LDTP04094 10.27  LDD1986 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 10.78  LDD1986 
Neudesin (NENF) LDTP13630 6.15  LDD1986 
Neuferricin (CYB5D2) LDTP15623 14.32  LDD1986 
Nucleobindin-2 (NUCB2) LDTP05160 6.41  LDD1986 
PC4 and SFRS1-interacting protein (PSIP1) LDTP01233 8.63  LDD1986 
Protein CEBPZOS (CEBPZOS) LDTP18883 6.11  LDD1986 
Protein unc-119 homolog B (UNC119B) LDTP00105 9.65  LDD1986 
Rab GTPase-activating protein 1 (RABGAP1) LDTP14000 5.62  LDD1986 
Reticulon-4 (RTN4) LDTP12412 5.43  LDD1986 
Retinol-binding protein 1 (RBP1) LDTP02345 8.00  LDD1986 
S1 RNA-binding domain-containing protein 1 (SRBD1) LDTP17715 5.35  LDD1986 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 5.82  LDD1986 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 6.36  LDD1986 
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⏷ Show the Full List of 25 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
 LDD1986 
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