Details of the Probe

General Information of Probe

Probe ID
LDPC0442
Probe Name
C207
Probe Type
PAL-AfBPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 358.445
Lipid-water partition coefficient (xlogp) 4.501
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H22N4O
Canonical SMILES
[H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(c2[H])C([H])([H])N(c2c([H])c([H])c([H])c([H])c2[H])C3([H])[H])N=N1
InChI
InChI=1S/C22H22N4O/c1-2-3-12-22(24-25-22)13-11-21(27)23-19-10-9-17-15-26(16-18(17)14-19)20-7-5-4-6-8-20/h1,4-10,14H,3,11-13,15-16H2,(H,23,27)
InChIKey
JDQGWDVYYBEFRE-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

18 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 21.41  LDD1882 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 18.13  LDD1882 
Chondroitin sulfate N-acetylgalactosaminyltransferase 2 (CSGALNACT2) LDTP08933 47.18  LDD1882 
Copper-transporting ATPase 2 (ATP7B) LDTP03779 19.70  LDD1882 
Cytochrome b-c1 complex subunit 8 (UQCRQ) LDTP00486 51.63  LDD1882 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 23.10  LDD1882 
Cytochrome b5 type B (CYB5B) LDTP00697 67.18  LDD1882 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 21.56  LDD1882 
E3 ubiquitin-protein ligase TRIM13 (TRIM13) LDTP01065 19.03  LDD1882 
Epoxide hydrolase 1 (EPHX1) LDTP02175 24.25  LDD1882 
Heme oxygenase 2 (HMOX2) LDTP03540 34.06  LDD1882 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 23.26  LDD1882 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 24.42  LDD1882 
Methylsterol monooxygenase 1 (MSMO1) LDTP06477 24.08  LDD1882 
Mitochondrial cardiolipin hydrolase (PLD6) LDTP08790 22.16  LDD1882 
NADH dehydrogenase 1 beta subcomplex subunit 3 (NDUFB3) LDTP00832 46.21  LDD1882 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 18.00  LDD1882 
Telomerase RNA component interacting RNase (TRIR) LDTP11055 20.25  LDD1882 
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⏷ Show the Full List of 18 Enzyme
21 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase F(0) complex subunit B1, mitochondrial (ATP5PB) LDTP03284 18.90  LDD1882 
Cytochrome c oxidase assembly protein COX18, mitochondrial (COX18) LDTP08981 20.53  LDD1882 
Cytochrome c oxidase subunit 7A2, mitochondrial (COX7A2) LDTP02724 41.93  LDD1882 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 19.56  LDD1882 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 24.59  LDD1882 
Melanoma inhibitory activity protein 2 (MIA2) LDTP10669 33.36  LDD1882 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 26.54  LDD1882 
Mitochondrial 2-oxodicarboxylate carrier (SLC25A21) LDTP11095 22.16  LDD1882 
Mitochondrial import inner membrane translocase subunit TIM16 (PAM16) LDTP13983 38.32  LDD1882 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 85.63  LDD1882 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 26.54  LDD1882 
Protein GPR107 (GPR107) LDTP07236 21.26  LDD1882 
Secretory carrier-associated membrane protein 2 (SCAMP2) LDTP00547 23.26  LDD1882 
Solute carrier family 25 member 32 (SLC25A32) LDTP11813 47.18  LDD1882 
Solute carrier family 25 member 33 (SLC25A33) LDTP11162 36.50  LDD1882 
Translocon-associated protein subunit alpha (SSR1) LDTP04033 33.36  LDD1882 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 18.38  LDD1882 
Transmembrane protein 126A (TMEM126A) LDTP15948 31.12  LDD1882 
Transmembrane protein 199 (TMEM199) LDTP08881 22.94  LDD1882 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 38.59  LDD1882 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 35.02  LDD1882 
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⏷ Show the Full List of 21 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Zinc finger CCCH domain-containing protein 4 (ZC3H4) LDTP13718 18.64  LDD1882 
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18 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Activated RNA polymerase II transcriptional coactivator p15 (SUB1) LDTP04595 20.53  LDD1882 
Alpha-2-macroglobulin receptor-associated protein (LRPAP1) LDTP03545 18.13  LDD1882 
Chromobox protein homolog 3 (CBX3) LDTP05778 19.97  LDD1882 
Chromobox protein homolog 5 (CBX5) LDTP04073 18.13  LDD1882 
G patch domain-containing protein 4 (GPATCH4) LDTP17229 21.71  LDD1882 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 18.90  LDD1882 
Negative elongation factor C/D (NELFCD) LDTP08594 22.16  LDD1882 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 21.71  LDD1882 
Protein FAM114A2 (FAM114A2) LDTP16080 19.97  LDD1882 
Protein FAM98B (FAM98B) LDTP06879 17.88  LDD1882 
Protein Hook homolog 2 (HOOK2) LDTP10255 21.86  LDD1882 
Protein YIF1A (YIF1A) LDTP01494 18.64  LDD1882 
Reticulon-3 (RTN3) LDTP01522 40.22  LDD1882 
Reticulon-4 (RTN4) LDTP12412 26.72  LDD1882 
Ribosome-recycling factor, mitochondrial (MRRF) LDTP10242 19.16  LDD1882 
Syntaxin-18 (STX18) LDTP13086 29.86  LDD1882 
Translocon-associated protein subunit delta (SSR4) LDTP04425 20.11  LDD1882 
Ubiquinol-cytochrome c reductase complex assembly factor 6 (UQCC6) LDTP15067 43.41  LDD1882 
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⏷ Show the Full List of 18 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
 LDD1882 
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