Details of the Probe

General Information of Probe

Probe ID
LDPC0111
Probe Name
Jackson_14
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 471.5
Lipid-water partition coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C28H29N3O4
IUPAC Name
tert-butyl 4-[4-(1-prop-2-ynylindole-5-carbonyl)benzoyl]piperazine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C
InChI
InChI=1S/C28H29N3O4/c1-5-13-29-14-12-22-19-23(10-11-24(22)29)25(32)20-6-8-21(9-7-20)26(33)30-15-17-31(18-16-30)27(34)35-28(2,3)4/h1,6-12,14,19H,13,15-18H2,2-4H3
InChIKey
CHQWHJLBPXQSFU-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

59 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 2.94  LDD0123 
3-mercaptopyruvate sulfurtransferase (MPST) LDTP03319 3.03  LDD0123 
Acid ceramidase (ASAH1) LDTP05905 2.38  LDD0123 
Acyl-coenzyme A thioesterase 1 (ACOT1) LDTP08209 2.94  LDD0123 
Acyl-coenzyme A thioesterase 2, mitochondrial (ACOT2) LDTP04291 2.94  LDD0123 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 2.50  LDD0123 
Alkyldihydroxyacetonephosphate synthase, peroxisomal (AGPS) LDTP00186 2.00  LDD0123 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 3.03  LDD0123 
Asparagine synthetase [glutamine-hydrolyzing] (ASNS) LDTP02264 11.11  LDD0123 
ATP-citrate synthase (ACLY) LDTP04561 2.08  LDD0123 
Casein kinase II subunit alpha (CSNK2A1) LDTP05077 2.38  LDD0123 
Ceramide glucosyltransferase (UGCG) LDTP06617 2.33  LDD0123 
Ceramide synthase 2 (CERS2) LDTP10329 2.33  LDD0123 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 2.22  LDD0123 
Cytochrome c oxidase subunit 1 (MT-CO1) LDTP01772 2.38  LDD0123 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 2.00  LDD0123 
Cytochrome c oxidase subunit 7A-related protein, mitochondrial (COX7A2L) LDTP14427 2.56  LDD0123 
Cytochrome P450 1B1 (CYP1B1) LDTP06608 3.57  LDD0123 
Cytochrome P450 2U1 (CYP2U1) LDTP08061 3.33  LDD0123 
Cytosolic non-specific dipeptidase (CNDP2) LDTP10514 2.13  LDD0123 
DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 3.33  LDD0123 
Dipeptidyl peptidase 3 (DPP3) LDTP12803 2.00  LDD0123 
E3 ubiquitin-protein ligase MARCHF5 (MARCHF5) LDTP12757 2.78  LDD0123 
Flavin reductase (NADPH) (BLVRB) LDTP03511 2.08  LDD0123 
Hydroxysteroid dehydrogenase-like protein 2 (HSDL2) LDTP07762 33.33  LDD0123 
Isopentenyl-diphosphate Delta-isomerase 1 (IDI1) LDTP06006 2.17  LDD0123 
Lactoylglutathione lyase (GLO1) LDTP05434 3.85  LDD0123 
Lysocardiolipin acyltransferase 1 (LCLAT1) LDTP07679 2.17  LDD0123 
Mitogen-activated protein kinase 1 (MAPK1) LDTP03445 2.27  LDD0123 
NADH dehydrogenase 1 alpha subcomplex subunit 9, mitochondrial (NDUFA9) LDTP06631 2.63  LDD0123 
NADH dehydrogenase iron-sulfur protein 2, mitochondrial (NDUFS2) LDTP01168 2.08  LDD0123 
NADH dehydrogenase iron-sulfur protein 7, mitochondrial (NDUFS7) LDTP01165 5.88  LDD0123 
Neutral alpha-glucosidase AB (GANAB) LDTP06192 2.08  LDD0123 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 2.17  LDD0123 
Peptidyl-prolyl cis-trans isomerase H (PPIH) LDTP00769 2.04  LDD0123 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 2.94  LDD0123 
Phosphatidylserine synthase 1 (PTDSS1) LDTP04203 2.17  LDD0123 
Polypeptide N-acetylgalactosaminyltransferase 2 (GALNT2) LDTP05623 2.08  LDD0123 
Propionyl-CoA carboxylase beta chain, mitochondrial (PCCB) LDTP02096 2.08  LDD0123 
Prostaglandin E synthase (PTGES) LDTP00407 2.38  LDD0123 
Protoporphyrinogen oxidase (PPOX) LDTP04353 3.45  LDD0123 
Ras-related protein Rab-11B (RAB11B) LDTP06501 2.08  LDD0123 
Ras-related protein Rab-5B (RAB5B) LDTP04893 2.04  LDD0123 
Ras-related protein Rab-6A (RAB6A) LDTP03051 2.63  LDD0123 
Ras-related protein Rab-6B (RAB6B) LDTP12538 2.86  LDD0123 
Ras-related protein Ral-A (RALA) LDTP02557 2.44  LDD0123 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 2.04  LDD0123 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 4.00  LDD0123 
Sterol 26-hydroxylase, mitochondrial (CYP27A1) LDTP05348 2.27  LDD0123 
Sterol carrier protein 2 (SCP2) LDTP03163 12.50  LDD0123 
Sulfhydryl oxidase 2 (QSOX2) LDTP07813 2.08  LDD0123 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 5.00  LDD0123 
Titin (TTN) LDTP09749 20.00  LDD0123 
Trifunctional enzyme subunit beta, mitochondrial (HADHB) LDTP04671 2.27  LDD0123 
Tripeptidyl-peptidase 2 (TPP2) LDTP03469 2.17  LDD0123 
Tyrosine-protein kinase JAK1 (JAK1) LDTP03230 2.27  LDD0123 
Tyrosine-protein phosphatase non-receptor type 12 (PTPN12) LDTP05449 2.04  LDD0123 
Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (HACD3) LDTP12954 2.33  LDD0123 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 2.00  LDD0123 
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⏷ Show the Full List of 59 Enzyme
36 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Activator of 90 kDa heat shock protein ATPase homolog 1 (AHSA1) LDTP01601 2.04  LDD0123 
ATP synthase F(0) complex subunit B1, mitochondrial (ATP5PB) LDTP03284 2.50  LDD0123 
Bcl-2-like protein 1 (BCL2L1) LDTP05529 2.00  LDD0123 
Calcium load-activated calcium channel (TMCO1) LDTP13599 2.63  LDD0123 
Caveolin-1 (CAV1) LDTP05394 2.00  LDD0123 
CD81 antigen (CD81) LDTP04849 2.63  LDD0123 
Claudin domain-containing protein 1 (CLDND1) LDTP16136 2.27  LDD0123 
Cytochrome c oxidase subunit 5A, mitochondrial (COX5A) LDTP03064 2.78  LDD0123 
Endoplasmic reticulum membrane protein complex subunit 7 (EMC7) LDTP12331 2.63  LDD0123 
Equilibrative nucleoside transporter 1 (SLC29A1) LDTP10985 2.50  LDD0123 
ER membrane protein complex subunit 3 (EMC3) LDTP12958 2.50  LDD0123 
Growth hormone-inducible transmembrane protein (GHITM) LDTP11869 2.22  LDD0123 
Importin-7 (IPO7) LDTP01574 3.33  LDD0123 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 2.08  LDD0123 
Major prion protein (PRNP) LDTP02018 2.00  LDD0123 
Mitochondrial adenyl nucleotide antiporter SLC25A24 (SLC25A24) LDTP07472 2.08  LDD0123 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 2.00  LDD0123 
Mitochondrial proton/calcium exchanger protein (LETM1) LDTP01525 2.13  LDD0123 
Mitochondrial pyruvate carrier 2 (MPC2) LDTP01631 3.23  LDD0123 
Oligosaccharyltransferase complex subunit OSTC (OSTC) LDTP12526 3.45  LDD0123 
PRA1 family protein 3 (ARL6IP5) LDTP01352 2.00  LDD0123 
Prosaposin (PSAP) LDTP02215 4.35  LDD0123 
Protein Mpv17 (MPV17) LDTP03869 4.55  LDD0123 
Protein transport protein Sec61 subunit alpha isoform 1 (SEC61A1) LDTP04932 2.08  LDD0123 
Protein unc-93 homolog B1 (UNC93B1) LDTP11760 2.00  LDD0123 
Proteolipid protein 2 (PLP2) LDTP05443 2.22  LDD0123 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 2.22  LDD0123 
Sideroflexin-1 (SFXN1) LDTP12090 2.17  LDD0123 
Sodium-coupled neutral amino acid symporter 2 (SLC38A2) LDTP10731 2.50  LDD0123 
Surfeit locus protein 4 (SURF4) LDTP00592 4.55  LDD0123 
Syntenin-1 (SDCBP) LDTP00310 2.04  LDD0123 
Transmembrane 9 superfamily member 4 (TM9SF4) LDTP09789 5.00  LDD0123 
Tricarboxylate transport protein, mitochondrial (SLC25A1) LDTP04553 2.13  LDD0123 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 3.57  LDD0123 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 2.56  LDD0123 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 8.33  LDD0123 
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⏷ Show the Full List of 36 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Paraspeckle component 1 (PSPC1) LDTP09694 2.13  LDD0123 
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2 Immunoglobulin Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
CD166 antigen (ALCAM) LDTP05973 2.44  LDD0123 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 2.00  LDD0123 
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41 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ADP-ribosylation factor-like protein 6-interacting protein 1 (ARL6IP1) LDTP06291 2.63  LDD0123 
Arfaptin-2 (ARFIP2) LDTP04557 2.27  LDD0123 
Caprin-1 (CAPRIN1) LDTP06121 2.08  LDD0123 
Catenin beta-1 (CTNNB1) LDTP03712 2.00  LDD0123 
CCN family member 1 (CCN1) LDTP00323 2.33  LDD0123 
CD82 antigen (CD82) LDTP03399 2.22  LDD0123 
Cleavage stimulation factor subunit 3 (CSTF3) LDTP05719 2.00  LDD0123 
DnaJ homolog subfamily C member 11 (DNAJC11) LDTP12677 2.63  LDD0123 
DnaJ homolog subfamily C member 5 (DNAJC5) LDTP11894 2.63  LDD0123 
GPI transamidase component PIG-T (PIGT) LDTP10015 2.04  LDD0123 
Guanine nucleotide-binding protein G(i) subunit alpha-3 (GNAI3) LDTP02306 2.17  LDD0123 
Heat shock protein 75 kDa, mitochondrial (TRAP1) LDTP05697 2.50  LDD0123 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 3.23  LDD0123 
Junction plakoglobin (JUP) LDTP02756 2.63  LDD0123 
Keratin, type I cytoskeletal 10 (KRT10) LDTP02674 16.67  LDD0123 
Keratin, type I cytoskeletal 14 (KRT14) LDTP01930 7.69  LDD0123 
Keratin, type I cytoskeletal 15 (KRT15) LDTP02974 5.88  LDD0123 
Keratin, type I cytoskeletal 16 (KRT16) LDTP02308 7.69  LDD0123 
Keratin, type I cytoskeletal 17 (KRT17) LDTP05424 8.33  LDD0123 
Keratin, type I cytoskeletal 9 (KRT9) LDTP03755 14.29  LDD0123 
Keratin, type II cytoskeletal 1 (KRT1) LDTP02031 16.67  LDD0123 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 2.27  LDD0123 
Laminin subunit beta-3 (LAMB3) LDTP05974 3.03  LDD0123 
Large ribosomal subunit protein mL46 (MRPL46) LDTP15976 2.13  LDD0123 
LEM domain-containing protein 2 (LEMD2) LDTP09082 2.08  LDD0123 
LIM domain and actin-binding protein 1 (LIMA1) LDTP13260 2.22  LDD0123 
Malignant T-cell-amplified sequence 1 (MCTS1) LDTP13532 2.56  LDD0123 
MICOS complex subunit MIC27 (APOOL) LDTP07718 2.04  LDD0123 
Myristoylated alanine-rich C-kinase substrate (MARCKS) LDTP03503 2.04  LDD0123 
Nck-associated protein 1 (NCKAP1) LDTP13839 2.94  LDD0123 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 4.55  LDD0123 
Plasminogen activator inhibitor 1 (SERPINE1) LDTP02085 2.50  LDD0123 
Prohibitin-2 (PHB2) LDTP10924 2.13  LDD0123 
Protein FAM162A (FAM162A) LDTP10056 2.56  LDD0123 
Protein FAM3C (FAM3C) LDTP09773 2.00  LDD0123 
Protein YIF1B (YIF1B) LDTP06948 2.27  LDD0123 
Protein YIPF4 (YIPF4) LDTP11167 3.70  LDD0123 
Small ribosomal subunit protein mS39 (PTCD3) LDTP10285 2.00  LDD0123 
Translationally-controlled tumor protein (TPT1) LDTP02683 2.00  LDD0123 
Transmembrane protein 43 (TMEM43) LDTP11210 2.13  LDD0123 
U4/U6 small nuclear ribonucleoprotein Prp4 (PRPF4) LDTP00698 2.17  LDD0123 
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⏷ Show the Full List of 41 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0016  Ranjitkar_cp1 10 uM Human breast adenocarcinoma cells (MDA-MB-231) [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
SILAC
Competitor Name
Ranjitkar_cp1
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Breast
Disease Model
Breast adenocarcinoma [ICD-11:2C60]
Model Name
Human breast adenocarcinoma cells (MDA-MB-231)
Interaction Atlas ID
 LDD0123 
Download The Altas

References

1 Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide. J Org Chem. 2018 Sep 21;83(18):11245-11253. doi: 10.1021/acs.joc.8b01831. Epub 2018 Aug 31.