Details of the Probe

General Information of Probe

Probe ID
LDPC0041
Probe Name
BDBM50514113
Synonyms
CHEMBL4593739; BDBM50514113; 4-(2-Chloroacetyl)-N-(4-ethynylbenzyl)-1-methyl-1H-pyrrole-2-carboxamide
Probe Type
ABPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 314.8
Lipid-water partition coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H15ClN2O2
IUPAC Name
4-(2-chloroacetyl)-N-[(4-ethynylphenyl)methyl]-1-methylpyrrole-2-carboxamide
Canonical SMILES
CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C#C)C(=O)CCl
InChI
InChI=1S/C17H15ClN2O2/c1-3-12-4-6-13(7-5-12)10-19-17(22)15-8-14(11-20(15)2)16(21)9-18/h1,4-8,11H,9-10H2,2H3,(H,19,22)
InChIKey
MLOJTJXDYQBQRB-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

32 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 4.64  LDD0041 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 4.64  LDD0041 
4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1) LDTP04232 3.55  LDD0041 
4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1) LDTP04232 3.55  LDD0041 
DNA-directed RNA polymerase II subunit RPB2 (POLR2B) LDTP03564 1.68  LDD0041 
DNA-directed RNA polymerase II subunit RPB2 (POLR2B) LDTP03564 1.68  LDD0041 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 4.24  LDD0041 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 4.24  LDD0041 
Heme oxygenase 2 (HMOX2) LDTP03540 3.93  LDD0041 
Heme oxygenase 2 (HMOX2) LDTP03540 3.93  LDD0041 
Nucleoredoxin (NXN) LDTP07367 8.29  LDD0041 
Nucleoredoxin (NXN) LDTP07367 8.29  LDD0041 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 110.67  LDD0041 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 110.67  LDD0041 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 1.73  LDD0041 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 1.73  LDD0041 
Thioredoxin, mitochondrial (TXN2) LDTP10973 1.81  LDD0041 
Thioredoxin, mitochondrial (TXN2) LDTP10973 1.81  LDD0041 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 1.98  LDD0041 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 1.98  LDD0041 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 1.59  LDD0041 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 1.59  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 16 (USP16) LDTP14159 8.70  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 16 (USP16) LDTP14159 8.70  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 19 (USP19) LDTP01474 1.49  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 19 (USP19) LDTP01474 1.49  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 33 (USP33) LDTP09517 8.13  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 33 (USP33) LDTP09517 8.13  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 4 (USP4) LDTP05749 2.40  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 4 (USP4) LDTP05749 2.40  LDD0041 
Vitamin K epoxide reductase complex subunit 1 (VKORC1) LDTP11070 4.63  LDD0041 
Vitamin K epoxide reductase complex subunit 1 (VKORC1) LDTP11070 4.63  LDD0041 
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⏷ Show the Full List of 32 Enzyme
6 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Autophagy-related protein 9A (ATG9A) LDTP08030 1.78  LDD0041 
Autophagy-related protein 9A (ATG9A) LDTP08030 1.78  LDD0041 
Pinin (PNN) LDTP11855 8.91  LDD0041 
Pinin (PNN) LDTP11855 8.91  LDD0041 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 2.68  LDD0041 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 2.68  LDD0041 
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⏷ Show the Full List of 6 Transporter and channel
4 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Retinoic acid receptor alpha (RARA) LDTP02489 2.24  LDD0041 
Retinoic acid receptor alpha (RARA) LDTP02489 2.24  LDD0041 
Sterol regulatory element-binding protein 2 (SREBF2) LDTP05644 8.33  LDD0041 
Sterol regulatory element-binding protein 2 (SREBF2) LDTP05644 8.33  LDD0041 
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10 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
AMMECR1-like protein (AMMECR1L) LDTP19476 2.93  LDD0041 
AMMECR1-like protein (AMMECR1L) LDTP19476 2.93  LDD0041 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 11.56  LDD0041 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 11.56  LDD0041 
Kinectin (KTN1) LDTP08238 1.80  LDD0041 
Kinectin (KTN1) LDTP08238 1.80  LDD0041 
Nonsense-mediated mRNA decay factor SMG9 (SMG9) LDTP11737 1.81  LDD0041 
Nonsense-mediated mRNA decay factor SMG9 (SMG9) LDTP11737 1.81  LDD0041 
Reticulon-3 (RTN3) LDTP01522 1.50  LDD0041 
Reticulon-3 (RTN3) LDTP01522 1.50  LDD0041 
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⏷ Show the Full List of 10 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0002  Ward_cp1 625 nM Human osteosarcoma cells (U2OS) [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
125 nM
Quantitative Method
SILAC
Competitor Name
Ward_cp1
 Competitor Info 
Competitor Concentration
625 nM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Osteosarcoma [ICD-11:2B51]
Model Name
Human osteosarcoma cells (U2OS)
Interaction Atlas ID
 LDD0041 
Download The Altas

References

1 Quantitative Chemical Proteomic Profiling of Ubiquitin Specific Proteases in Intact Cancer Cells. ACS Chem Biol. 2016 Dec 16;11(12):3268-3272. doi: 10.1021/acschembio.6b00766. Epub 2016 Oct 31.