Details of the Probe

General Information of Probe

Probe ID
LDPC0209
Probe Name
YY4-yne
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 575.1
Lipid-water partition coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C33H39ClN4O3
IUPAC Name
N-[3-benzyl-1-[3-(4-pent-4-ynoylpiperazin-1-yl)benzoyl]piperidin-4-yl]-2-chloro-N-cyclopropylacetamide
Canonical SMILES
C#CCCC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)N3CCC(C(C3)CC4=CC=CC=C4)N(C5CC5)C(=O)CCl
InChI
InChI=1S/C33H39ClN4O3/c1-2-3-12-31(39)36-19-17-35(18-20-36)29-11-7-10-26(22-29)33(41)37-16-15-30(38(28-13-14-28)32(40)23-34)27(24-37)21-25-8-5-4-6-9-25/h1,4-11,22,27-28,30H,3,12-21,23-24H2
InChIKey
UDLORELTOGMQDW-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

43 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
(E3-independent) E2 ubiquitin-conjugating enzyme (UBE2O) LDTP11601 2.82  LDD0400 
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (HPGD) LDTP02788 3.52  LDD0400 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 3.45  LDD0400 
6-phosphogluconolactonase (PGLS) LDTP14535 11.09  LDD0400 
Acyl-coenzyme A thioesterase 8 (ACOT8) LDTP00415 2.81  LDD0400 
Antigen peptide transporter 1 (TAP1) LDTP05408 3.87  LDD0400 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 3.59  LDD0400 
Choline/ethanolaminephosphotransferase 1 (CEPT1) LDTP14264 5.90  LDD0400 
Cytochrome b5 type B (CYB5B) LDTP00697 2.86  LDD0400 
Delta-aminolevulinic acid dehydratase (ALAD) LDTP02684 3.17  LDD0400 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 7.40  LDD0400 
DNA fragmentation factor subunit beta (DFFB) LDTP01394 2.61  LDD0400 
DNA polymerase delta catalytic subunit (POLD1) LDTP03437 2.36  LDD0400 
Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase (ALG6) LDTP14213 2.53  LDD0400 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 2.16  LDD0400 
Ethylmalonyl-CoA decarboxylase (ECHDC1) LDTP16095 3.17  LDD0400 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 2.82  LDD0400 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 5.17  LDD0400 
Glycerol-3-phosphate acyltransferase 4 (GPAT4) LDTP08232 2.12  LDD0400 
Heme oxygenase 2 (HMOX2) LDTP03540 5.41  LDD0400 
Hydroxymethylglutaryl-CoA lyase, mitochondrial (HMGCL) LDTP03794 2.02  LDD0400 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 2.70  LDD0400 
Lysine-specific demethylase 5D (KDM5D) LDTP11440 2.94  LDD0400 
Methylated-DNA--protein-cysteine methyltransferase (MGMT) LDTP02852 3.70  LDD0400 
Myotubularin-related protein 1 (MTMR1) LDTP05943 3.57  LDD0400 
NADH-ubiquinone oxidoreductase chain 5 (MT-ND5) LDTP01986 3.26  LDD0400 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 3.75  LDD0400 
Phosphatidylserine lipase ABHD16A (ABHD16A) LDTP01704 3.87  LDD0400 
Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4) LDTP03831 7.44  LDD0400 
Polyprenol reductase (SRD5A3) LDTP12064 2.98  LDD0400 
Presequence protease, mitochondrial (PITRM1) LDTP07003 3.59  LDD0400 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 7.73  LDD0400 
Prostamide/prostaglandin F synthase (PRXL2B) LDTP09344 6.02  LDD0400 
Protein adenylyltransferase SelO, mitochondrial (SELENOO) LDTP11294 2.19  LDD0400 
Pseudouridylate synthase RPUSD2 (RPUSD2) LDTP15370 2.11  LDD0400 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 2.91  LDD0400 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 3.39  LDD0400 
Sterol carrier protein 2 (SCP2) LDTP03163 3.58  LDD0400 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 10.48  LDD0400 
Thioredoxin reductase 1, cytoplasmic (TXNRD1) LDTP06658 3.27  LDD0400 
Thioredoxin reductase 2, mitochondrial (TXNRD2) LDTP12297 3.36  LDD0400 
Thioredoxin reductase-like selenoprotein T (SELENOT) LDTP04988 8.08  LDD0400 
Ubiquitin carboxyl-terminal hydrolase 5 (USP5) LDTP04074 2.03  LDD0400 
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⏷ Show the Full List of 43 Enzyme
10 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 2.37  LDD0400 
Huntingtin (HTT) LDTP04007 2.36  LDD0400 
Mitochondrial pyruvate carrier 2 (MPC2) LDTP01631 11.57  LDD0400 
Mitochondrial thiamine pyrophosphate carrier (SLC25A19) LDTP12210 3.15  LDD0400 
Secretory carrier-associated membrane protein 1 (SCAMP1) LDTP00546 2.03  LDD0400 
Secretory carrier-associated membrane protein 4 (SCAMP4) LDTP09987 2.10  LDD0400 
StAR-related lipid transfer protein 7, mitochondrial (STARD7) LDTP18459 2.24  LDD0400 
Stimulator of interferon genes protein (STING1) LDTP08344 2.48  LDD0400 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 3.20  LDD0400 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 2.75  LDD0400 
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⏷ Show the Full List of 10 Transporter and channel
2 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
AT-rich interactive domain-containing protein 3A (ARID3A) LDTP10995 4.60  LDD0400 
Tissue-resident T-cell transcription regulator protein ZNF683 (ZNF683) LDTP08683 2.28  LDD0400 
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1 GPCR Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
G-protein coupled receptor 171 (GPR171) LDTP14430 3.53  LDD0400 
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3 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
HLA class I histocompatibility antigen, A alpha chain (HLA-A) LDTP02040 2.09  LDD0400 
HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 4.65  LDD0400 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 4.93  LDD0400 
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27 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Anthrax toxin receptor 2 (ANTXR2) LDTP04812 2.88  LDD0400 
Apolipoprotein L3 (APOL3) LDTP01536 2.79  LDD0400 
Ashwin (C2orf49) LDTP15896 2.12  LDD0400 
Carabin (TBC1D10C) LDTP08475 2.75  LDD0400 
Cip1-interacting zinc finger protein (CIZ1) LDTP13579 2.72  LDD0400 
Dedicator of cytokinesis protein 5 (DOCK5) LDTP12022 2.83  LDD0400 
DENN domain-containing protein 2D (DENND2D) LDTP18400 4.68  LDD0400 
Dynactin subunit 4 (DCTN4) LDTP13402 3.14  LDD0400 
HAUS augmin-like complex subunit 3 (HAUS3) LDTP07318 2.00  LDD0400 
Inner nuclear membrane protein Man1 (LEMD3) LDTP13913 2.66  LDD0400 
Integrator complex subunit 8 (INTS8) LDTP07912 2.53  LDD0400 
Peroxiredoxin-like 2A (PRXL2A) LDTP11140 2.51  LDD0400 
Pleckstrin homology domain-containing family D member 1 (PLEKHD1) LDTP18768 5.04  LDD0400 
Polyamine-modulated factor 1 (PMF1) LDTP07508 3.39  LDD0400 
Protein flightless-1 homolog (FLII) LDTP05734 3.38  LDD0400 
Putative HLA class I histocompatibility antigen, alpha chain H (HLA-H) LDTP01914 4.02  LDD0400 
Reticulon-4 (RTN4) LDTP12412 2.92  LDD0400 
RUS family member 1 (RUSF1) LDTP10357 2.66  LDD0400 
Selenoprotein F (SELENOF) LDTP01012 3.27  LDD0400 
Selenoprotein H (SELENOH) LDTP19672 2.20  LDD0400 
Selenoprotein K (SELENOK) LDTP14236 3.50  LDD0400 
Selenoprotein S (SELENOS) LDTP11075 5.49  LDD0400 
Serotransferrin (TF) LDTP01970 3.57  LDD0400 
TBC1 domain family member 10A (TBC1D10A) LDTP11379 2.01  LDD0400 
TBC1 domain family member 10B (TBC1D10B) LDTP06853 2.07  LDD0400 
UPF0729 protein C18orf32 (C18orf32) LDTP15599 4.42  LDD0400 
Vacuolar protein sorting-associated protein 18 homolog (VPS18) LDTP13019 2.17  LDD0400 
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⏷ Show the Full List of 27 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0154  YY4 10 uM Human normal cells (T cell) [1]
 LDCM0155  UK-5099 10 uM Human normal cells (T cell) [1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
LFQ
Competitor Name
YY4
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (T cell)
Interaction Atlas ID
 LDD0400 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
10 uM
Quantitative Method
LFQ
Competitor Name
UK-5099
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (T cell)
Interaction Atlas ID
 LDD0401 
Download The Altas

References

1 A Chemical Proteomic Probe for the Mitochondrial Pyruvate Carrier Complex. Angew Chem Int Ed Engl. 2020 Mar 2;59(10):3896-3899. doi: 10.1002/anie.201914391. Epub 2020 Feb 11.