Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0613
Competitor Name
Fragment55
Synonyms
N-(6-amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydropyrimidin-5-yl)-N-butyl-2-chloroacetamide; 731011-95-3; SCHEMBL22196887; DTXSID801122910; AKOS001045707; N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroacetamide; UPCMLD0ENAT0520-4091:001; CS-0220531; EN300-06884; Z56949569; N-(6-Amino-1,2,3,4-tetrahydro-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-chloroacetamide; N-(6-AMINO-2,4-DIOXO-1-PROPYL-3H-PYRIMIDIN-5-YL)-N-BUTYL-2-CHLOROACETAMIDE
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.78
Lipid-water partition coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H21ClN4O3
IUPAC Name
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-chloroacetamide
Canonical SMILES
CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCl
InChI
InChI=1S/C13H21ClN4O3/c1-3-5-7-17(9(19)8-14)10-11(15)18(6-4-2)13(21)16-12(10)20/h3-8,15H2,1-2H3,(H,16,20,21)
InChIKey
GGLVBFJXJFVEQO-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 breast adenocarcinoma cell lysate (MDA-MB-231) [1]

Target(s) List of this Competitor

58 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 0.98; 1.07  LDD1457 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 1.01  LDD1457 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 1.13  LDD1457 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 1.02  LDD1457 
6-phosphogluconolactonase (PGLS) LDTP14535 1.42  LDD1457 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 1.08  LDD1457 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.92; 0.95; 1.03 ...  LDD1457 
Adenosine kinase (ADK) LDTP04689 0.88  LDD1457 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 2.45  LDD1457 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 1.02; 1.12  LDD1457 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 0.97  LDD1457 
Cathepsin B (CTSB) LDTP02223 1.01; 1.11  LDD1457 
Cathepsin Z (CTSZ) LDTP13147 1.06; 1.12  LDD1457 
Cell cycle checkpoint control protein RAD9A (RAD9A) LDTP10929 1.19  LDD1457 
Deoxycytidine kinase (DCK) LDTP03400 1.02  LDD1457 
DNA repair protein RAD50 (RAD50) LDTP09912 1.21  LDD1457 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 1.52  LDD1457 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 1.15  LDD1457 
Dynamin-2 (DNM2) LDTP04374 0.89  LDD1457 
Elongation factor 2 (EEF2) LDTP02672 0.92  LDD1457 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 0.95  LDD1457 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 1.01  LDD1457 
ERO1-like protein alpha (ERO1A) LDTP10386 1.06; 1.13  LDD1457 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.93  LDD1457 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 0.85  LDD1457 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1457 
Glutathione S-transferase P (GSTP1) LDTP02333 1.38  LDD1457 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 1.22  LDD1457 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 1.00  LDD1457 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 1.13  LDD1457 
Integrin-linked protein kinase (ILK) LDTP05859 0.72  LDD1457 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.52  LDD1457 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.88  LDD1457 
Mitogen-activated protein kinase kinase kinase 20 (MAP3K20) LDTP12837 1.18  LDD1457 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 0.97  LDD1457 
Omega-amidase NIT2 (NIT2) LDTP12428 1.00  LDD1457 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 0.90  LDD1457 
Peroxiredoxin-4 (PRDX4) LDTP05773 1.13  LDD1457 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.31  LDD1457 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 2.26  LDD1457 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.77  LDD1457 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 1.00  LDD1457 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 1.06  LDD1457 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.85  LDD1457 
Protein PML (PML) LDTP03496 1.02  LDD1457 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 0.86  LDD1457 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 1.10  LDD1457 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.91  LDD1457 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.79  LDD1457 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 1.17  LDD1457 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 2.09  LDD1457 
Thioredoxin (TXN) LDTP02502 1.51  LDD1457 
Thymidine kinase, cytosolic (TK1) LDTP02022 1.01  LDD1457 
Transmembrane protease serine 12 (TMPRSS12) LDTP15306 1.18  LDD1457 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 1.01; 1.19  LDD1457 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 0.99; 1.05; 1.08  LDD1457 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 1.03  LDD1457 
Uridine phosphorylase 1 (UPP1) LDTP06643 0.93  LDD1457 
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⏷ Show the Full List of 58 Enzyme
9 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 1.40  LDD1457 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.89  LDD1457 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.89  LDD1457 
Exportin-1 (XPO1) LDTP00501 0.94  LDD1457 
Gasdermin-D (GSDMD) LDTP04801 1.10  LDD1457 
Protein SEC13 homolog (SEC13) LDTP04707 0.89  LDD1457 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 1.00  LDD1457 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 0.97  LDD1457 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 0.96  LDD1457 
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⏷ Show the Full List of 9 Transporter and channel
2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
eIF5-mimic protein 2 (BZW1) LDTP07940 0.92  LDD1457 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 1.04  LDD1457 
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42 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 1.11  LDD1457 
Actin-related protein 3 (ACTR3) LDTP04902 1.19  LDD1457 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 0.99  LDD1457 
Calponin-2 (CNN2) LDTP10864 1.03; 1.03  LDD1457 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 1.14  LDD1457 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 1.01  LDD1457 
Coronin-1C (CORO1C) LDTP13580 0.93; 0.96  LDD1457 
Crk-like protein (CRKL) LDTP04092 1.20  LDD1457 
Dynactin subunit 1 (DCTN1) LDTP06082 0.98  LDD1457 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 0.81  LDD1457 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 0.93  LDD1457 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.06  LDD1457 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 0.95  LDD1457 
Hsp70-binding protein 1 (HSPBP1) LDTP12914 1.11  LDD1457 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 1.01  LDD1457 
LanC-like protein 2 (LANCL2) LDTP12571 0.83  LDD1457 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 0.89  LDD1457 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.83  LDD1457 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 1.02  LDD1457 
Nuclear migration protein nudC (NUDC) LDTP13817 0.93  LDD1457 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.90  LDD1457 
Plastin-3 (PLS3) LDTP02692 1.01  LDD1457 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.71; 1.10  LDD1457 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.08  LDD1457 
Protein S100-A11 (S100A11) LDTP03620 0.77  LDD1457 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 0.93  LDD1457 
Reticulon-4 (RTN4) LDTP12412 1.02  LDD1457 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 0.94  LDD1457 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.12  LDD1457 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 0.87  LDD1457 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 0.96  LDD1457 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.03  LDD1457 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 2.77  LDD1457 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.99  LDD1457 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.07  LDD1457 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.89  LDD1457 
TBC1 domain family member 23 (TBC1D23) LDTP12651 0.92  LDD1457 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 1.06  LDD1457 
Tropomodulin-3 (TMOD3) LDTP18494 0.87  LDD1457 
Tubulin beta chain (TUBB) LDTP02205 1.10; 1.00  LDD1457 
Tubulin-specific chaperone D (TBCD) LDTP11212 0.77  LDD1457 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 1.16  LDD1457 
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⏷ Show the Full List of 42 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
Competitor Name Fragment55
Competitor Concentration 500 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Breast
Disease Model Breast adenocarcinoma [ICD-11:2C60]
Model Name Human breast adenocarcinoma cell lysate (MDA-MB-231)
Interaction Atlas ID  LDD1457  Download The Altas

References

1 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.