Details of the Probe

General Information of Probe

Probe ID
LDPC0040
Probe Name
IMP-1710
Synonyms
IMP-1710; 2383117-96-0; (2S)-2-[[4-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]carbonyl]-1-pyrrolidinecarbonitrile; (2S)-2-[4-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile; AKOS040755923; TS-08879; HY-138995; CS-0173655
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.4
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H19N5O
IUPAC Name
(2S)-2-[4-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
Canonical SMILES
C#CC1=CC2=C(NC=C2C3=C4CCN(C4=CC=C3)C(=O)C5CCCN5C#N)N=C1
InChI
InChI=1S/C23H19N5O/c1-2-15-11-18-19(13-26-22(18)25-12-15)16-5-3-6-20-17(16)8-10-28(20)23(29)21-7-4-9-27(21)14-24/h1,3,5-6,11-13,21H,4,7-10H2,(H,25,26)/t21-/m0/s1
InChIKey
FYMVGXGSNIVSKY-NRFANRHFSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

6 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Desumoylating isopeptidase 1 (DESI1) LDTP07407 2.17  LDD0212 
Fibroblast growth factor receptor 2 (FGFR2) LDTP03133 7.63  LDD0040 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 2.62  LDD0040 
Threonylcarbamoyladenosine tRNA methylthiotransferase (CDKAL1) LDTP07227 2.38  LDD0040 
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCHL1) LDTP02383 4.87  LDD0040 
Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCHL3) LDTP02783 2.11  LDD0040 
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⏷ Show the Full List of 6 Enzyme
1 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ER membrane protein complex subunit 4 (EMC4) LDTP06994 4.38  LDD0040 
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7 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Calmodulin-like protein 5 (CALML5) LDTP12937 2.35  LDD0040 
Corneodesmosin (CDSN) LDTP06403 2.92  LDD0040 
Desmocollin-1 (DSC1) LDTP05567 2.11  LDD0040 
Desmocollin-3 (DSC3) LDTP06154 2.41  LDD0040 
Keratin, type II cytoskeletal 1 (KRT1) LDTP02031 2.58  LDD0040 
Keratinocyte proline-rich protein (KPRP) LDTP07136 11.30  LDD0040 
Thyroid receptor-interacting protein 11 (TRIP11) LDTP06431 3.09  LDD0040 
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⏷ Show the Full List of 7 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0001  Panyain_cp1 4 uM 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
20 nM
Quantitative Method
TMT
Competitor Name
Panyain_cp1
 Competitor Info 
Competitor Concentration
1 uM
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
 LDD0040 
Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
20 nM
Quantitative Method
SILAC
Competitor Name
Panyain_cp1
 Competitor Info 
Competitor Concentration
4 uM
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
 LDD0212 
Download The Altas
Qualitation: Labeling site identification
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
13 uM
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
 LDD2176 
Download The Altas

References

1 Correction to "Discovery of a Potent and Selective Covalent Inhibitor and Activity-Based Probe for the Deubiquitylating Enzyme UCHL1, with Antifibrotic Activity". J Am Chem Soc. 2020 Sep 2;142(35):15199. doi: 10.1021/jacs.0c08385. Epub 2020 Aug 19.
Mass spectrometry data entry: PXD015825