Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0169
Competitor Name
KB63
Synonyms
PD128011
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 441.9
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H28ClN3O3
IUPAC Name
2-chloro-N-[1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]-N-phenylacetamide
Canonical SMILES
C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl
InChI
InChI=1S/C24H28ClN3O3/c25-17-23(29)28(21-5-2-1-3-6-21)22-7-4-12-27(18-22)24(30)19-8-10-20(11-9-19)26-13-15-31-16-14-26/h1-3,5-6,8-11,22H,4,7,12-18H2
InChIKey
MRAMUVZVDBOPEH-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 burkitt lymphoma cells (Ramos) [1]

Target(s) List of this Competitor

31 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 12.29  LDD0432 
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 7.90  LDD0432 
All trans-polyprenyl-diphosphate synthase PDSS2 (PDSS2) LDTP08401 4.13  LDD0432 
Anaphase-promoting complex subunit 11 (ANAPC11) LDTP12828 4.97  LDD0432 
Baculoviral IAP repeat-containing protein 2 (BIRC2) LDTP05893 13.27  LDD0432 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 20.00  LDD0432 
Caspase-2 (CASP2) LDTP03985 16.92  LDD0432 
Caspase-8 (CASP8) LDTP06211 20.00  LDD0432 
Cystathionine gamma-lyase (CTH) LDTP03656 5.24  LDD0432 
Cytochrome b5 type B (CYB5B) LDTP00697 14.97  LDD0432 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 4.23  LDD0432 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 9.94  LDD0432 
E3 ubiquitin-protein ligase BRE1B (RNF40) LDTP01141 9.51  LDD0432 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 14.34  LDD0432 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD0432 
Heme oxygenase 2 (HMOX2) LDTP03540 5.68  LDD0432 
Methylated-DNA--protein-cysteine methyltransferase (MGMT) LDTP02852 7.59  LDD0432 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 20.00  LDD0432 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 4.37  LDD0432 
N6-adenosine-methyltransferase catalytic subunit (METTL3) LDTP08214 4.14  LDD0432 
Phosphatidate cytidylyltransferase 2 (CDS2) LDTP01649 19.39  LDD0432 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 20.00  LDD0432 
Pseudouridylate synthase RPUSD2 (RPUSD2) LDTP15370 5.49  LDD0432 
Putative bifunctional UDP-N-acetylglucosamine transferase and deubiquitinase ALG13 (ALG13) LDTP12313 4.14  LDD0432 
Pyroglutamyl-peptidase 1 (PGPEP1) LDTP12784 20.00  LDD0432 
Ribosomal biogenesis protein LAS1L (LAS1L) LDTP14074 4.50  LDD0432 
RNA/RNP complex-1-interacting phosphatase (DUSP11) LDTP01173 4.10  LDD0432 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 19.23  LDD0432 
Superoxide dismutase [Cu-Zn] (SOD1) LDTP01776 4.84  LDD0432 
Tudor-interacting repair regulator protein (NUDT16L1) LDTP11111 4.61  LDD0432 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 4.40  LDD0432 
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⏷ Show the Full List of 31 Enzyme
9 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 7.42  LDD0432 
Gasdermin-D (GSDMD) LDTP04801 20.00  LDD0432 
MICOS complex subunit MIC10 (MICOS10) LDTP07191 4.20  LDD0432 
Mitochondrial carrier homolog 1 (MTCH1) LDTP12909 4.23  LDD0432 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 6.50  LDD0432 
PRA1 family protein 2 (PRAF2) LDTP01060 5.21  LDD0432 
Solute carrier family 12 member 9 (SLC12A9) LDTP11397 6.67  LDD0432 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 4.51  LDD0432 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 20.00  LDD0432 
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⏷ Show the Full List of 9 Transporter and channel
2 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CD48 antigen (CD48) LDTP02338 8.95  LDD0432 
Tapasin (TAPBP) LDTP00671 7.79  LDD0432 
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7 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Centromere protein P (CENPP) LDTP07419 5.15  LDD0432 
Coiled-coil-helix-coiled-coil-helix domain-containing protein 2 (CHCHD2) LDTP14251 4.24  LDD0432 
Crk-like protein (CRKL) LDTP04092 4.03  LDD0432 
MICOS complex subunit MIC27 (APOOL) LDTP07718 4.24  LDD0432 
Raftlin (RFTN1) LDTP06193 7.17  LDD0432 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 20.00  LDD0432 
Reticulon-4 (RTN4) LDTP12412 10.70  LDD0432 
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⏷ Show the Full List of 7 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 Isotope tag
Experimemt Name ISO-TOP ABPP
Competitor Name KB63
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Lymph node
Disease Model Burkitt lymphoma [ICD-11:2A85]
Model Name Human burkitt lymphoma cells (Ramos)
Interaction Atlas ID  LDD0432  Download The Altas

References

1 2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles. J Am Chem Soc. 2020 May 13;142(19):8972-8979. doi: 10.1021/jacs.0c02721. Epub 2020 Apr 29.