Details of the Probe

General Information of Probe

Probe ID
LDPC0043
Probe Name
TG42
Synonyms
CHEMBL4466041; BDBM50502333
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 394.4
Lipid-water partition coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C24H14N2O4
IUPAC Name
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-ethynylbenzo[e][1]benzofuran-1-yl)acetate
Canonical SMILES
C#CC1=C(C2=C(O1)C=CC3=CC=CC=C32)CC(=O)OC4=CC=C(C=C4)C5=NN=CO5
InChI
InChI=1S/C24H14N2O4/c1-2-20-19(23-18-6-4-3-5-15(18)9-12-21(23)30-20)13-22(27)29-17-10-7-16(8-11-17)24-26-25-14-28-24/h1,3-12,14H,13H2
InChIKey
JIOJOUNXAWDVTH-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

25 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial (OXSM) LDTP12734 9.13  LDD0326 
Alpha/beta hydrolase domain-containing protein 17B (ABHD17B) LDTP07208 4.41  LDD0043 
Atlastin-3 (ATL3) LDTP07362 4.17  LDD0043 
Calcium-transporting ATPase type 2C member 1 (ATP2C1) LDTP05228 4.97  LDD0326 
Catechol O-methyltransferase (COMT) LDTP03145 7.69  LDD0326 
Cytochrome b5 type B (CYB5B) LDTP00697 20.82  LDD0326 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.31  LDD0043 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.77  LDD0326 
DNA-directed RNA polymerase II subunit GRINL1A (POLR2M) LDTP02406 4.48  LDD0326 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 5.85  LDD0043 
Fructose-2,6-bisphosphatase TIGAR (TIGAR) LDTP12405 4.07  LDD0043 
Fructose-bisphosphate aldolase C (ALDOC) LDTP02386 4.57  LDD0326 
Heme oxygenase 2 (HMOX2) LDTP03540 51.50  LDD0326 
NAD(P)H dehydrogenase [quinone] 1 (NQO1) LDTP02798 89.63  LDD0326 
NADH dehydrogenase 1 beta subcomplex subunit 8, mitochondrial (NDUFB8) LDTP01515 4.41  LDD0043 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 13.28  LDD0326 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 4.23  LDD0326 
Probable hydrolase PNKD (PNKD) LDTP08858 4.34  LDD0326 
Protein phosphatase 1G (PPM1G) LDTP00616 5.06  LDD0326 
Serine/threonine-protein kinase 3 (STK3) LDTP05779 4.54  LDD0043 
Serine/threonine-protein kinase 4 (STK4) LDTP05733 4.01  LDD0043 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 6.59  LDD0326 
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCHL1) LDTP02383 6.73  LDD0326 
Ubiquitin-conjugating enzyme E2 Z (UBE2Z) LDTP12046 4.99  LDD0326 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 5.94  LDD0326 
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⏷ Show the Full List of 25 Enzyme
32 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Annexin A11 (ANXA11) LDTP04393 8.15  LDD0326 
Apolipoprotein E (APOE) LDTP01936 4.19  LDD0326 
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 10.58  LDD0326 
Cationic amino acid transporter 2 (SLC7A2) LDTP04512 5.06  LDD0326 
Clathrin light chain A (CLTA) LDTP02352 8.50  LDD0326 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 8.35  LDD0326 
Extended synaptotagmin-2 (ESYT2) LDTP00014 4.33  LDD0326 
Guided entry of tail-anchored proteins factor CAMLG (CAMLG) LDTP04227 6.12  LDD0043 
Hsp90 co-chaperone Cdc37 (CDC37) LDTP06549 4.12  LDD0326 
Integrin beta-1 (ITGB1) LDTP02122 4.42  LDD0326 
Leucine-rich repeat transmembrane protein FLRT3 (FLRT3) LDTP12938 8.75  LDD0326 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 7.37  LDD0326 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 4.34  LDD0326 
MICOS complex subunit MIC60 (IMMT) LDTP06660 6.33  LDD0326 
Nuclear envelope pore membrane protein POM 121C (POM121C) LDTP00127 9.01  LDD0326 
Pericentriolar material 1 protein (PCM1) LDTP06331 5.00  LDD0043 
Peroxisomal membrane protein PEX14 (PEX14) LDTP01200 4.59  LDD0043 
Prominin-1 (PROM1) LDTP00777 16.29  LDD0326 
Protein transport protein Sec61 subunit beta (SEC61B) LDTP04866 5.46  LDD0326 
Protein tweety homolog 3 (TTYH3) LDTP11615 4.17  LDD0326 
Reticulophagy regulator 1 (RETREG1) LDTP11987 5.91  LDD0043 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 12.96  LDD0326 
Secretory carrier-associated membrane protein 4 (SCAMP4) LDTP09987 4.42  LDD0043 
Store-operated calcium entry-associated regulatory factor (SARAF) LDTP10148 63.60  LDD0326 
Translocation protein SEC62 (SEC62) LDTP15838 10.65  LDD0326 
Transmembrane emp24 domain-containing protein 1 (TMED1) LDTP05875 24.47  LDD0326 
Transmembrane protein 223 (TMEM223) LDTP14325 4.21  LDD0043 
Transmembrane protein 230 (TMEM230) LDTP10065 12.09  LDD0043 
Transport and Golgi organization protein 1 homolog (MIA3) LDTP07002 4.92  LDD0326 
V-type proton ATPase subunit G 1 (ATP6V1G1) LDTP01185 7.75  LDD0326 
Vezatin (VEZT) LDTP12191 10.69  LDD0326 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.04  LDD0326 
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⏷ Show the Full List of 32 Transporter and channel
4 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Leucine-rich repeat flightless-interacting protein 1 (LRRFIP1) LDTP06748 8.96  LDD0326 
Sterol regulatory element-binding protein 2 (SREBF2) LDTP05644 5.59  LDD0326 
Transcription factor E2F3 (E2F3) LDTP00332 7.43  LDD0043 
Transcription factor SOX-4 (SOX4) LDTP05505 4.82  LDD0043 
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2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basal cell adhesion molecule (BCAM) LDTP04387 26.72  LDD0326 
Butyrophilin subfamily 2 member A1 (BTN2A1) LDTP07927 8.04  LDD0043 
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44 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
A-kinase anchor protein 8 (AKAP8) LDTP00880 4.57  LDD0043 
Alpha-fetoprotein (AFP) LDTP01964 4.63  LDD0326 
Apolipoprotein L2 (APOL2) LDTP11076 5.80  LDD0326 
Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1 (ARAP1) LDTP10657 4.54  LDD0043 
BAG family molecular chaperone regulator 4 (BAG4) LDTP01600 4.65  LDD0043 
BH3-interacting domain death agonist (BID) LDTP04722 4.65  LDD0326 
Calcium-regulated heat-stable protein 1 (CARHSP1) LDTP13916 4.61  LDD0043 
Conserved oligomeric Golgi complex subunit 1 (COG1) LDTP09549 4.74  LDD0326 
Endophilin-A2 (SH3GL1) LDTP11019 4.33  LDD0326 
Glutamate-rich protein 5 (ERICH5) LDTP19509 6.86  LDD0043 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 4.87  LDD0326 
Interleukin-17 receptor A (IL17RA) LDTP10296 4.65  LDD0043 
Kinesin light chain 2 (KLC2) LDTP11695 4.38  LDD0326 
Ladinin-1 (LAD1) LDTP14421 5.82  LDD0326 
MAPK-interacting and spindle-stabilizing protein-like (MAPK1IP1L) LDTP09121 6.94  LDD0043 
MARCKS-related protein (MARCKSL1) LDTP04224 5.11  LDD0043 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 11.05  LDD0043 
Mitochondrial import receptor subunit TOM20 homolog (TOMM20) LDTP06373 4.57  LDD0326 
Myristoylated alanine-rich C-kinase substrate (MARCKS) LDTP03503 7.24  LDD0326 
Nonsense-mediated mRNA decay factor SMG9 (SMG9) LDTP11737 4.54; 4.48  LDD0326 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 4.19  LDD0326 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 12.46  LDD0326 
Perilipin-2 (PLIN2) LDTP10889 5.38  LDD0326 
Pre-B-cell leukemia transcription factor-interacting protein 1 (PBXIP1) LDTP10091 5.97  LDD0326 
Protein AMBP (AMBP) LDTP01959 51.95  LDD0326 
Protein FAM234B (FAM234B) LDTP18732 4.20  LDD0043 
Protein LYRIC (MTDH) LDTP08224 23.89  LDD0326 
Protein XRP2 (RP2) LDTP01296 4.15  LDD0326 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 40.44  LDD0326 
Reticulon-3 (RTN3) LDTP01522 8.02  LDD0326 
Reticulon-4 (RTN4) LDTP12412 12.20  LDD0043 
SAP domain-containing ribonucleoprotein (SARNP) LDTP05179 4.40  LDD0326 
Serine incorporator 1 (SERINC1) LDTP12544 7.35  LDD0043 
Signaling threshold-regulating transmembrane adapter 1 (SIT1) LDTP13999 5.66  LDD0043 
Small ribosomal subunit protein uS10 (RPS20) LDTP04880 4.65  LDD0326 
Sperm-associated antigen 5 (SPAG5) LDTP10753 5.34  LDD0326 
Suppressor of IKBKE 1 (SIKE1) LDTP11137 11.58  LDD0043 
Syntaxin-8 (STX8) LDTP13664 7.85  LDD0043 
TraB domain-containing protein (TRABD) LDTP19963 4.61  LDD0326 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 8.00  LDD0326 
Transforming acidic coiled-coil-containing protein 1 (TACC1) LDTP01210 7.32  LDD0043 
Transforming acidic coiled-coil-containing protein 3 (TACC3) LDTP14228 4.59  LDD0043 
Tubulin-specific chaperone A (TBCA) LDTP01184 4.82  LDD0326 
UPF0729 protein C18orf32 (C18orf32) LDTP15599 6.48  LDD0043 
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⏷ Show the Full List of 44 Other

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs DMSO
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
20 uM
Quantitative Method
LFQ
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Bone marrow
Disease Model
T acute lymphoblastic leukemia [ICD-11:2A90]
Model Name
Human T acute lymphoblastic leukemia cells (Jurkat)
Interaction Atlas ID
 LDD0043 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
20 uM
Quantitative Method
LFQ
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Liver
Disease Model
Hepatocellular carcinoma [ICD-11:2C12]
Model Name
Human hepatocellular carcinoma cells (Huh-7)
Interaction Atlas ID
 LDD0326 
Download The Altas

References

1 Design and synthesis of tailored human caseinolytic protease P inhibitors. Chem Commun (Camb). 2018 Aug 28;54(70):9833-9836. doi: 10.1039/c8cc05265d.
Mass spectrometry data entry: PXD010277