Details of the Probe

General Information of Probe

Probe ID
LDPC0138
Probe Name
P12
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 277.324
Lipid-water partition coefficient (xlogp) 0.0018
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H19N3O3
Canonical SMILES
C#CCCNC(=O)C(C)(Cc1ccc(O)c(O)c1)NN
InChI
InChI=1S/C14H19N3O3/c1-3-4-7-16-13(20)14(2,17-15)9-10-5-6-11(18)12(19)8-10/h1,5-6,8,17-19H,4,7,9,15H2,2H3,(H,16,20)/t14-/m1/s1
InChIKey
YSGBJFKIJLHVCA-CQSZACIVSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

22 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aspartyl/asparaginyl beta-hydroxylase (ASPH) LDTP05652 18.43  LDD0202 
Atlastin-2 (ATL2) LDTP09251 5.43  LDD0202 
Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 20.00  LDD0202 
ER degradation-enhancing alpha-mannosidase-like protein 3 (EDEM3) LDTP11558 20.00  LDD0202 
ERO1-like protein alpha (ERO1A) LDTP10386 11.74  LDD0202 
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A (GSPT1) LDTP02770 7.72  LDD0202 
Glutathione hydrolase 7 (GGT7) LDTP13367 15.35  LDD0202 
Nucleoside diphosphate kinase 3 (NME3) LDTP05795 20.00  LDD0202 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 6.05  LDD0202 
Peroxiredoxin-4 (PRDX4) LDTP05773 7.16  LDD0202 
Protein disulfide-isomerase (P4HB) LDTP02188 7.08  LDD0202 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 18.04  LDD0202 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 17.33  LDD0202 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 16.45  LDD0202 
Retinol dehydrogenase 11 (RDH11) LDTP09364 20.00  LDD0202 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 19.96  LDD0202 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 18.87  LDD0202 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 11.17  LDD0202 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 16.63  LDD0202 
Threonylcarbamoyladenosine tRNA methylthiotransferase (CDKAL1) LDTP07227 20.00  LDD0202 
Thymidine kinase, cytosolic (TK1) LDTP02022 12.10  LDD0202 
TNF receptor-associated factor 6 (TRAF6) LDTP14064 13.19  LDD0202 
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⏷ Show the Full List of 22 Enzyme
10 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Chloride channel CLIC-like protein 1 (CLCC1) LDTP10804 12.54  LDD0202 
Extended synaptotagmin-1 (ESYT1) LDTP11161 10.62  LDD0202 
High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 11.53  LDD0202 
Nuclear pore complex protein Nup153 (NUP153) LDTP04309 16.80  LDD0202 
Nuclear pore complex protein Nup50 (NUP50) LDTP13498 6.36  LDD0202 
Protein ELYS (AHCTF1) LDTP09742 20.00  LDD0202 
Signal recognition particle 19 kDa protein (SRP19) LDTP02330 11.05  LDD0202 
SUN domain-containing protein 1 (SUN1) LDTP01454 16.88  LDD0202 
TBC1 domain family member 4 (TBC1D4) LDTP00958 5.99  LDD0202 
Transport and Golgi organization protein 1 homolog (MIA3) LDTP07002 13.36  LDD0202 
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⏷ Show the Full List of 10 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Leucine-rich repeat flightless-interacting protein 1 (LRRFIP1) LDTP06748 10.48  LDD0202 
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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 12.57  LDD0202 
HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 12.57  LDD0202 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 16.37  LDD0202 
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15 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
A-kinase anchor protein 1, mitochondrial (AKAP1) LDTP09837 17.35  LDD0202 
Ataxin-2-like protein (ATXN2L) LDTP09655 11.64  LDD0202 
BSD domain-containing protein 1 (BSDC1) LDTP16116 20.00  LDD0202 
Disks large-associated protein 5 (DLGAP5) LDTP06378 15.56  LDD0202 
Emerin (EMD) LDTP04356 8.97  LDD0202 
Gamma-taxilin (TXLNG) LDTP12640 6.76  LDD0202 
Inner nuclear membrane protein Man1 (LEMD3) LDTP13913 7.33  LDD0202 
Oxysterol-binding protein 1 (OSBP) LDTP03151 9.48  LDD0202 
Protein IMPACT (IMPACT) LDTP13088 9.39  LDD0202 
Protein PRRC2C (PRRC2C) LDTP14085 20.00  LDD0202 
Protein transport protein Sec16A (SEC16A) LDTP00512 20.00  LDD0202 
Reticulon-3 (RTN3) LDTP01522 20.00  LDD0202 
Stromal membrane-associated protein 1 (SMAP1) LDTP08639 7.79  LDD0202 
Telomere-associated protein RIF1 (RIF1) LDTP07205 11.91  LDD0202 
Tetratricopeptide repeat protein 1 (TTC1) LDTP15840 9.38  LDD0202 
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⏷ Show the Full List of 15 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0088  C45 1 mM Human normal cells (HEK-293T) [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
1 mM
Quantitative Method
SILAC
Competitor Name
C45
 Competitor Info 
Competitor Concentration
1 mM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Interaction Atlas ID
 LDD0202 
Download The Altas

References

1 Discovery of Potent and Selective Inhibitors against Protein-Derived Electrophilic Cofactors. J Am Chem Soc. 2022 Mar 30;144(12):5377-5388. doi: 10.1021/jacs.1c12748. Epub 2022 Mar 2.