Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0200
Competitor Name
BPK-25
Synonyms
BPK-25; 2305052-86-0; SCHEMBL20857044; EX-A8396; AKOS040757536; MS-26583; HY-141550; CS-0181180; G18259; 5-[(6-chloropyridin-2-yl)methyl-prop-2-enoylamino]-N-phenylpyridine-2-carboxamide
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.8
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H17ClN4O2
IUPAC Name
5-[(6-chloropyridin-2-yl)methyl-prop-2-enoylamino]-N-phenylpyridine-2-carboxamide
Canonical SMILES
C=CC(=O)N(CC1=NC(=CC=C1)Cl)C2=CN=C(C=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H17ClN4O2/c1-2-20(27)26(14-16-9-6-10-19(22)24-16)17-11-12-18(23-13-17)21(28)25-15-7-4-3-5-8-15/h2-13H,1,14H2,(H,25,28)
InChIKey
MHPBTJANPDDCPH-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
IA-alkyne
 Probe Info  		100 uM Human normal cell lysate (T cell) [1]

Target(s) List of this Competitor

20 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 4.88  LDD0529 
ADP-dependent glucokinase (ADPGK) LDTP11127 4.02  LDD0516 
Antigen peptide transporter 2 (TAP2) LDTP05409 6.83  LDD0516 
Baculoviral IAP repeat-containing protein 6 (BIRC6) LDTP12459 6.73  LDD0516 
Calcium-independent phospholipase A2-gamma (PNPLA8) LDTP12318 4.38  LDD0529 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 8.30  LDD0516 
Cytochrome b5 type B (CYB5B) LDTP00697 7.99  LDD0529 
Dihydroxyacetone phosphate acyltransferase (GNPAT) LDTP00577 11.75  LDD0516 
Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (ALG3) LDTP09841 7.10  LDD0516 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 20.00  LDD0516 
Heme oxygenase 2 (HMOX2) LDTP03540 11.11  LDD0516 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 6.02  LDD0516 
Large ribosomal subunit protein mL39 (MRPL39) LDTP12835 10.08  LDD0516 
LIM domain kinase 1 (LIMK1) LDTP04573 4.14  LDD0516 
Methionine aminopeptidase 1 (METAP1) LDTP04565 9.04  LDD0516 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 20.00  LDD0516 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 9.96  LDD0516 
Prostamide/prostaglandin F synthase (PRXL2B) LDTP09344 6.19  LDD0516 
Pseudouridylate synthase RPUSD2 (RPUSD2) LDTP15370 7.11  LDD0529 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 17.60  LDD0516 
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⏷ Show the Full List of 20 Enzyme
5 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AP-4 complex subunit epsilon-1 (AP4E1) LDTP13696 7.27  LDD0516 
Clathrin heavy chain 1 (CLTC) LDTP05252 7.66  LDD0516 
Phospholipid scramblase 3 (PLSCR3) LDTP12548 4.77  LDD0516 
Probable mitochondrial glutathione transporter SLC25A40 (SLC25A40) LDTP18053 4.74  LDD0529 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.07  LDD0516 
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1 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Tapasin (TAPBP) LDTP00671 4.52  LDD0516 
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11 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Dynactin subunit 4 (DCTN4) LDTP13402 14.58  LDD0529 
MICOS complex subunit MIC27 (APOOL) LDTP07718 8.44  LDD0529 
Myeloid differentiation primary response protein MyD88 (MYD88) LDTP10992 11.75  LDD0529 
Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein (PREX1) LDTP09399 9.45  LDD0516 
Proteasome activator complex subunit 4 (PSME4) LDTP06250 4.13  LDD0516 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 20.00  LDD0516 
Reticulon-4 (RTN4) LDTP12412 9.13  LDD0516 
S1 RNA-binding domain-containing protein 1 (SRBD1) LDTP17715 8.43  LDD0516 
Solute carrier family 66 member 3 (SLC66A3) LDTP19719 8.39  LDD0516 
Torsin-4A (TOR4A) LDTP18484 7.65  LDD0516 
UV radiation resistance-associated gene protein (UVRAG) LDTP13090 4.01  LDD0516 
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⏷ Show the Full List of 11 Other

Full Information of The Labelling Profiles of This Competitor

IA-alkyne
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method TMT
Competitor Name BPK-25
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cell lysate (T cell)
Interaction Atlas ID  LDD0516  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name BPK-25
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cell lysate (T cell)
Interaction Atlas ID  LDD0529  Download The Altas

References

1 An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human T Cells. Cell. 2020 Aug 20;182(4):1009-1026.e29. doi: 10.1016/j.cell.2020.07.001. Epub 2020 Jul 29.