Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0002
Competitor Name
Ward_cp1
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 290.74
Lipid-water partition coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H15ClN2O2
IUPAC Name
N-benzyl-4-(2-chloroacetyl)-1-methylpyrrole-2-carboxamide
Canonical SMILES
CN1C=C(C=C1C(=O)NCC2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C15H15ClN2O2/c1-18-10-12(14(19)8-16)7-13(18)15(20)17-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H,17,20)
InChIKey
SBIVFYBGMVTPHM-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
BDBM50514113
 Probe Info  		125 nM Human osteosarcoma cells (U2OS) [1]
PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
Photoprobe 2
 Probe Info  		500 nM Human astrocytoma cells (CCF-STTG1) [2]

Target(s) List of this Competitor

16 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 4.64  LDD0041 
4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1) LDTP04232 3.55  LDD0041 
DNA-directed RNA polymerase II subunit RPB2 (POLR2B) LDTP03564 1.68  LDD0041 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 4.24  LDD0041 
Heme oxygenase 2 (HMOX2) LDTP03540 3.93  LDD0041 
Nucleoredoxin (NXN) LDTP07367 8.29  LDD0041 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 110.67  LDD0041 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 1.73  LDD0041 
Thioredoxin, mitochondrial (TXN2) LDTP10973 1.81  LDD0041 
Thioredoxin-like protein 1 (TXNL1) LDTP00758 1.98  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 19 (USP19) LDTP01474 1.49  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 33 (USP33) LDTP09517 8.13  LDD0041 
Ubiquitin carboxyl-terminal hydrolase 4 (USP4) LDTP05749 2.40  LDD0041 
Vitamin K epoxide reductase complex subunit 1 (VKORC1) LDTP11070 4.63  LDD0041 
------------------------------------------------------------------------------------
⏷ Show the Full List of 16 Enzyme
3 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Autophagy-related protein 9A (ATG9A) LDTP08030 1.78  LDD0041 
Pinin (PNN) LDTP11855 8.91  LDD0041 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 2.68  LDD0041 
------------------------------------------------------------------------------------
3 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Oxysterols receptor LXR-beta (NR1H2) LDTP04659 17.84  LDD0307 
Retinoic acid receptor alpha (RARA) LDTP02489 2.24  LDD0041 
Sterol regulatory element-binding protein 2 (SREBF2) LDTP05644 8.33  LDD0041 
------------------------------------------------------------------------------------
5 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AMMECR1-like protein (AMMECR1L) LDTP19476 2.93  LDD0041 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 11.56  LDD0041 
Kinectin (KTN1) LDTP08238 1.80  LDD0041 
Nonsense-mediated mRNA decay factor SMG9 (SMG9) LDTP11737 1.81  LDD0041 
Reticulon-3 (RTN3) LDTP01522 1.50  LDD0041 
------------------------------------------------------------------------------------

Full Information of The Labelling Profiles of This Competitor

BDBM50514113
 Probe Info 
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 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

Photoprobe 2
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [2]
Probe concentration 500 nM
Quantitative Method SILAC
Competitor Name Ward_cp1
Competitor Concentration 25 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Brain
Disease Model Astrocytoma [ICD-11:2F36]
Model Name Human astrocytoma cells (CCF-STTG1)
Interaction Atlas ID  LDD0307  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.
2 Photoaffinity Labeling and Quantitative Chemical Proteomics Identify LXR as the Functional Target of Enhancers of Astrocytic apoE. Cell Chem Biol. 2021 Feb 18;28(2):148-157.e7. doi: 10.1016/j.chembiol.2020.09.002. Epub 2020 Sep 29.