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

50 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 
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial (OXSM) LDTP12734 9.13  LDD0326 
Alpha/beta hydrolase domain-containing protein 17B (ABHD17B) LDTP07208 4.41  LDD0043 
Alpha/beta hydrolase domain-containing protein 17B (ABHD17B) LDTP07208 4.41  LDD0043 
Atlastin-3 (ATL3) LDTP07362 4.17  LDD0043 
Atlastin-3 (ATL3) LDTP07362 4.17  LDD0043 
Calcium-transporting ATPase type 2C member 1 (ATP2C1) LDTP05228 4.97  LDD0326 
Calcium-transporting ATPase type 2C member 1 (ATP2C1) LDTP05228 4.97  LDD0326 
Catechol O-methyltransferase (COMT) LDTP03145 7.69  LDD0326 
Catechol O-methyltransferase (COMT) LDTP03145 7.69  LDD0326 
Cytochrome b5 type B (CYB5B) LDTP00697 20.82  LDD0326 
Cytochrome b5 type B (CYB5B) LDTP00697 20.82  LDD0326 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.31  LDD0043 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 6.31  LDD0043 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.77  LDD0326 
Delta(14)-sterol reductase TM7SF2 (TM7SF2) LDTP01389 5.77  LDD0326 
DNA-directed RNA polymerase II subunit GRINL1A (POLR2M) LDTP02406 4.48  LDD0326 
DNA-directed RNA polymerase II subunit GRINL1A (POLR2M) LDTP02406 4.48  LDD0326 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 5.85  LDD0043 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 5.85  LDD0043 
Fructose-2,6-bisphosphatase TIGAR (TIGAR) LDTP12405 4.07  LDD0043 
Fructose-2,6-bisphosphatase TIGAR (TIGAR) LDTP12405 4.07  LDD0043 
Fructose-bisphosphate aldolase C (ALDOC) LDTP02386 4.57  LDD0326 
Fructose-bisphosphate aldolase C (ALDOC) LDTP02386 4.57  LDD0326 
Heme oxygenase 2 (HMOX2) LDTP03540 51.50  LDD0326 
Heme oxygenase 2 (HMOX2) LDTP03540 51.50  LDD0326 
NAD(P)H dehydrogenase [quinone] 1 (NQO1) LDTP02798 89.63  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 
NADH dehydrogenase 1 beta subcomplex subunit 8, mitochondrial (NDUFB8) LDTP01515 4.41  LDD0043 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 13.28  LDD0326 
Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 13.28  LDD0326 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 4.23  LDD0326 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 4.23  LDD0326 
Probable hydrolase PNKD (PNKD) LDTP08858 4.34  LDD0326 
Probable hydrolase PNKD (PNKD) LDTP08858 4.34  LDD0326 
Protein phosphatase 1G (PPM1G) LDTP00616 5.06  LDD0326 
Protein phosphatase 1G (PPM1G) LDTP00616 5.06  LDD0326 
Serine/threonine-protein kinase 3 (STK3) LDTP05779 4.54  LDD0043 
Serine/threonine-protein kinase 3 (STK3) LDTP05779 4.54  LDD0043 
Serine/threonine-protein kinase 4 (STK4) LDTP05733 4.01  LDD0043 
Serine/threonine-protein kinase 4 (STK4) LDTP05733 4.01  LDD0043 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 6.59  LDD0326 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 6.59  LDD0326 
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCHL1) LDTP02383 6.73  LDD0326 
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCHL1) LDTP02383 6.73  LDD0326 
Ubiquitin-conjugating enzyme E2 Z (UBE2Z) LDTP12046 4.99  LDD0326 
Ubiquitin-conjugating enzyme E2 Z (UBE2Z) LDTP12046 4.99  LDD0326 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 5.94  LDD0326 
Vitamin K-dependent gamma-carboxylase (GGCX) LDTP03854 5.94  LDD0326 
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⏷ Show the Full List of 50 Enzyme
64 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Annexin A11 (ANXA11) LDTP04393 8.15  LDD0326 
Annexin A11 (ANXA11) LDTP04393 8.15  LDD0326 
Apolipoprotein E (APOE) LDTP01936 4.19  LDD0326 
Apolipoprotein E (APOE) LDTP01936 4.19  LDD0326 
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 10.58  LDD0326 
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 10.58  LDD0326 
Cationic amino acid transporter 2 (SLC7A2) LDTP04512 5.06  LDD0326 
Cationic amino acid transporter 2 (SLC7A2) LDTP04512 5.06  LDD0326 
Clathrin light chain A (CLTA) LDTP02352 8.50  LDD0326 
Clathrin light chain A (CLTA) LDTP02352 8.50  LDD0326 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 8.35  LDD0326 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 8.35  LDD0326 
Extended synaptotagmin-2 (ESYT2) LDTP00014 4.33  LDD0326 
Extended synaptotagmin-2 (ESYT2) LDTP00014 4.33  LDD0326 
Guided entry of tail-anchored proteins factor CAMLG (CAMLG) LDTP04227 6.12  LDD0043 
Guided entry of tail-anchored proteins factor CAMLG (CAMLG) LDTP04227 6.12  LDD0043 
Hsp90 co-chaperone Cdc37 (CDC37) LDTP06549 4.12  LDD0326 
Hsp90 co-chaperone Cdc37 (CDC37) LDTP06549 4.12  LDD0326 
Integrin beta-1 (ITGB1) LDTP02122 4.42  LDD0326 
Integrin beta-1 (ITGB1) LDTP02122 4.42  LDD0326 
Leucine-rich repeat transmembrane protein FLRT3 (FLRT3) LDTP12938 8.75  LDD0326 
Leucine-rich repeat transmembrane protein FLRT3 (FLRT3) LDTP12938 8.75  LDD0326 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 7.37  LDD0326 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 7.37  LDD0326 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 4.34  LDD0326 
Membrane-associated progesterone receptor component 1 (PGRMC1) LDTP00235 4.34  LDD0326 
MICOS complex subunit MIC60 (IMMT) LDTP06660 6.33  LDD0326 
MICOS complex subunit MIC60 (IMMT) LDTP06660 6.33  LDD0326 
Nuclear envelope pore membrane protein POM 121C (POM121C) LDTP00127 9.01  LDD0326 
Nuclear envelope pore membrane protein POM 121C (POM121C) LDTP00127 9.01  LDD0326 
Pericentriolar material 1 protein (PCM1) LDTP06331 5.00  LDD0043 
Pericentriolar material 1 protein (PCM1) LDTP06331 5.00  LDD0043 
Peroxisomal membrane protein PEX14 (PEX14) LDTP01200 4.59  LDD0043 
Peroxisomal membrane protein PEX14 (PEX14) LDTP01200 4.59  LDD0043 
Prominin-1 (PROM1) LDTP00777 16.29  LDD0326 
Prominin-1 (PROM1) LDTP00777 16.29  LDD0326 
Protein transport protein Sec61 subunit beta (SEC61B) LDTP04866 5.46  LDD0326 
Protein transport protein Sec61 subunit beta (SEC61B) LDTP04866 5.46  LDD0326 
Protein tweety homolog 3 (TTYH3) LDTP11615 4.17  LDD0326 
Protein tweety homolog 3 (TTYH3) LDTP11615 4.17  LDD0326 
Reticulophagy regulator 1 (RETREG1) LDTP11987 5.91  LDD0043 
Reticulophagy regulator 1 (RETREG1) LDTP11987 5.91  LDD0043 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 12.96  LDD0326 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 12.96  LDD0326 
Secretory carrier-associated membrane protein 4 (SCAMP4) LDTP09987 4.42  LDD0043 
Secretory carrier-associated membrane protein 4 (SCAMP4) LDTP09987 4.42  LDD0043 
Store-operated calcium entry-associated regulatory factor (SARAF) LDTP10148 63.60  LDD0326 
Store-operated calcium entry-associated regulatory factor (SARAF) LDTP10148 63.60  LDD0326 
Translocation protein SEC62 (SEC62) LDTP15838 10.65  LDD0326 
Translocation protein SEC62 (SEC62) LDTP15838 10.65  LDD0326 
Transmembrane emp24 domain-containing protein 1 (TMED1) LDTP05875 24.47  LDD0326 
Transmembrane emp24 domain-containing protein 1 (TMED1) LDTP05875 24.47  LDD0326 
Transmembrane protein 223 (TMEM223) LDTP14325 4.21  LDD0043 
Transmembrane protein 223 (TMEM223) LDTP14325 4.21  LDD0043 
Transmembrane protein 230 (TMEM230) LDTP10065 12.09  LDD0043 
Transmembrane protein 230 (TMEM230) LDTP10065 12.09  LDD0043 
Transport and Golgi organization protein 1 homolog (MIA3) LDTP07002 4.92  LDD0326 
Transport and Golgi organization protein 1 homolog (MIA3) LDTP07002 4.92  LDD0326 
V-type proton ATPase subunit G 1 (ATP6V1G1) LDTP01185 7.75  LDD0326 
V-type proton ATPase subunit G 1 (ATP6V1G1) LDTP01185 7.75  LDD0326 
Vezatin (VEZT) LDTP12191 10.69  LDD0326 
Vezatin (VEZT) LDTP12191 10.69  LDD0326 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.04  LDD0326 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.04  LDD0326 
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⏷ Show the Full List of 64 Transporter and channel
8 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 
Leucine-rich repeat flightless-interacting protein 1 (LRRFIP1) LDTP06748 8.96  LDD0326 
Sterol regulatory element-binding protein 2 (SREBF2) LDTP05644 5.59  LDD0326 
Sterol regulatory element-binding protein 2 (SREBF2) LDTP05644 5.59  LDD0326 
Transcription factor E2F3 (E2F3) LDTP00332 7.43  LDD0043 
Transcription factor E2F3 (E2F3) LDTP00332 7.43  LDD0043 
Transcription factor SOX-4 (SOX4) LDTP05505 4.82  LDD0043 
Transcription factor SOX-4 (SOX4) LDTP05505 4.82  LDD0043 
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⏷ Show the Full List of 8 Transcription factor
4 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Basal cell adhesion molecule (BCAM) LDTP04387 26.72  LDD0326 
Basal cell adhesion molecule (BCAM) LDTP04387 26.72  LDD0326 
Butyrophilin subfamily 2 member A1 (BTN2A1) LDTP07927 8.04  LDD0043 
Butyrophilin subfamily 2 member A1 (BTN2A1) LDTP07927 8.04  LDD0043 
------------------------------------------------------------------------------------
88 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
A-kinase anchor protein 8 (AKAP8) LDTP00880 4.57  LDD0043 
A-kinase anchor protein 8 (AKAP8) LDTP00880 4.57  LDD0043 
Alpha-fetoprotein (AFP) LDTP01964 4.63  LDD0326 
Alpha-fetoprotein (AFP) LDTP01964 4.63  LDD0326 
Apolipoprotein L2 (APOL2) LDTP11076 5.80  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 
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 
BAG family molecular chaperone regulator 4 (BAG4) LDTP01600 4.65  LDD0043 
BH3-interacting domain death agonist (BID) LDTP04722 4.65  LDD0326 
BH3-interacting domain death agonist (BID) LDTP04722 4.65  LDD0326 
Calcium-regulated heat-stable protein 1 (CARHSP1) LDTP13916 4.61  LDD0043 
Calcium-regulated heat-stable protein 1 (CARHSP1) LDTP13916 4.61  LDD0043 
Conserved oligomeric Golgi complex subunit 1 (COG1) LDTP09549 4.74  LDD0326 
Conserved oligomeric Golgi complex subunit 1 (COG1) LDTP09549 4.74  LDD0326 
Endophilin-A2 (SH3GL1) LDTP11019 4.33  LDD0326 
Endophilin-A2 (SH3GL1) LDTP11019 4.33  LDD0326 
Glutamate-rich protein 5 (ERICH5) LDTP19509 6.86  LDD0043 
Glutamate-rich protein 5 (ERICH5) LDTP19509 6.86  LDD0043 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 4.87  LDD0326 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 4.87  LDD0326 
Interleukin-17 receptor A (IL17RA) LDTP10296 4.65  LDD0043 
Interleukin-17 receptor A (IL17RA) LDTP10296 4.65  LDD0043 
Kinesin light chain 2 (KLC2) LDTP11695 4.38  LDD0326 
Kinesin light chain 2 (KLC2) LDTP11695 4.38  LDD0326 
Ladinin-1 (LAD1) LDTP14421 5.82  LDD0326 
Ladinin-1 (LAD1) LDTP14421 5.82  LDD0326 
MAPK-interacting and spindle-stabilizing protein-like (MAPK1IP1L) LDTP09121 6.94  LDD0043 
MAPK-interacting and spindle-stabilizing protein-like (MAPK1IP1L) LDTP09121 6.94  LDD0043 
MARCKS-related protein (MARCKSL1) LDTP04224 5.11  LDD0043 
MARCKS-related protein (MARCKSL1) LDTP04224 5.11  LDD0043 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 11.05  LDD0043 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 11.05  LDD0043 
Mitochondrial import receptor subunit TOM20 homolog (TOMM20) LDTP06373 4.57  LDD0326 
Mitochondrial import receptor subunit TOM20 homolog (TOMM20) LDTP06373 4.57  LDD0326 
Myristoylated alanine-rich C-kinase substrate (MARCKS) LDTP03503 7.24  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 
Nonsense-mediated mRNA decay factor SMG9 (SMG9) LDTP11737 4.54; 4.48  LDD0326 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 4.19  LDD0326 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 4.19  LDD0326 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 12.46  LDD0326 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 12.46  LDD0326 
Perilipin-2 (PLIN2) LDTP10889 5.38  LDD0326 
Perilipin-2 (PLIN2) LDTP10889 5.38  LDD0326 
Pre-B-cell leukemia transcription factor-interacting protein 1 (PBXIP1) LDTP10091 5.97  LDD0326 
Pre-B-cell leukemia transcription factor-interacting protein 1 (PBXIP1) LDTP10091 5.97  LDD0326 
Protein AMBP (AMBP) LDTP01959 51.95  LDD0326 
Protein AMBP (AMBP) LDTP01959 51.95  LDD0326 
Protein FAM234B (FAM234B) LDTP18732 4.20  LDD0043 
Protein FAM234B (FAM234B) LDTP18732 4.20  LDD0043 
Protein LYRIC (MTDH) LDTP08224 23.89  LDD0326 
Protein LYRIC (MTDH) LDTP08224 23.89  LDD0326 
Protein XRP2 (RP2) LDTP01296 4.15  LDD0326 
Protein XRP2 (RP2) LDTP01296 4.15  LDD0326 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 40.44  LDD0326 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 40.44  LDD0326 
Reticulon-3 (RTN3) LDTP01522 8.02  LDD0326 
Reticulon-3 (RTN3) LDTP01522 8.02  LDD0326 
Reticulon-4 (RTN4) LDTP12412 12.20  LDD0043 
Reticulon-4 (RTN4) LDTP12412 12.20  LDD0043 
SAP domain-containing ribonucleoprotein (SARNP) LDTP05179 4.40  LDD0326 
SAP domain-containing ribonucleoprotein (SARNP) LDTP05179 4.40  LDD0326 
Serine incorporator 1 (SERINC1) LDTP12544 7.35  LDD0043 
Serine incorporator 1 (SERINC1) LDTP12544 7.35  LDD0043 
Signaling threshold-regulating transmembrane adapter 1 (SIT1) LDTP13999 5.66  LDD0043 
Signaling threshold-regulating transmembrane adapter 1 (SIT1) LDTP13999 5.66  LDD0043 
Small ribosomal subunit protein uS10 (RPS20) LDTP04880 4.65  LDD0326 
Small ribosomal subunit protein uS10 (RPS20) LDTP04880 4.65  LDD0326 
Sperm-associated antigen 5 (SPAG5) LDTP10753 5.34  LDD0326 
Sperm-associated antigen 5 (SPAG5) LDTP10753 5.34  LDD0326 
Suppressor of IKBKE 1 (SIKE1) LDTP11137 11.58  LDD0043 
Suppressor of IKBKE 1 (SIKE1) LDTP11137 11.58  LDD0043 
Syntaxin-8 (STX8) LDTP13664 7.85  LDD0043 
Syntaxin-8 (STX8) LDTP13664 7.85  LDD0043 
TraB domain-containing protein (TRABD) LDTP19963 4.61  LDD0326 
TraB domain-containing protein (TRABD) LDTP19963 4.61  LDD0326 
Trans-Golgi network integral membrane protein 2 (TGOLN2) LDTP00779 8.00  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 1 (TACC1) LDTP01210 7.32  LDD0043 
Transforming acidic coiled-coil-containing protein 3 (TACC3) LDTP14228 4.59  LDD0043 
Transforming acidic coiled-coil-containing protein 3 (TACC3) LDTP14228 4.59  LDD0043 
Tubulin-specific chaperone A (TBCA) LDTP01184 4.82  LDD0326 
Tubulin-specific chaperone A (TBCA) LDTP01184 4.82  LDD0326 
UPF0729 protein C18orf32 (C18orf32) LDTP15599 6.48  LDD0043 
UPF0729 protein C18orf32 (C18orf32) LDTP15599 6.48  LDD0043 
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⏷ Show the Full List of 88 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