Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0611
Competitor Name
Fragment53
Synonyms
1-(4-Benzylpiperidino)-2-propene-1-one; CHEMBL4535346; 1-(4-benzylpiperidin-1-yl)prop-2-en-1-one; 205435-93-4; SCHEMBL18763025; BDBM50526121; PD169698; EN300-24892908; Z440634182
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 229.32
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C15H19NO
IUPAC Name
1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
Canonical SMILES
C=CC(=O)N1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO/c1-2-15(17)16-10-8-14(9-11-16)12-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2
InChIKey
VQWUZYUJTVJZQO-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

96 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 1.02; 1.10  LDD1454 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.98  LDD1454 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 0.94  LDD1454 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 0.72  LDD1454 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 1.24  LDD1455 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 1.13  LDD1454 
6-phosphogluconolactonase (PGLS) LDTP14535 0.92  LDD1454 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 0.95  LDD1454 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.89; 1.18; 0.96  LDD1454 
Acylamino-acid-releasing enzyme (APEH) LDTP02693 0.81  LDD1454 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 0.56  LDD1454 
Adenosine kinase (ADK) LDTP04689 0.92  LDD1454 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 0.90  LDD1454 
AMP deaminase 2 (AMPD2) LDTP05289 0.93  LDD1454 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 1.10; 1.09  LDD1454 
ATPase WRNIP1 (WRNIP1) LDTP10801 0.99  LDD1454 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 0.99  LDD1455 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 0.81; 0.76  LDD1455 
Cathepsin B (CTSB) LDTP02223 0.95; 1.12  LDD1454 
Cathepsin Z (CTSZ) LDTP13147 0.86; 0.94  LDD1454 
Cell cycle checkpoint control protein RAD9A (RAD9A) LDTP10929 0.95  LDD1454 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 1.17  LDD1454 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 0.98  LDD1454 
Cyclin-dependent kinase inhibitor 3 (CDKN3) LDTP06603 0.86  LDD1455 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 1.21  LDD1455 
Deaminated glutathione amidase (NIT1) LDTP15311 0.79  LDD1454 
Deoxycytidine kinase (DCK) LDTP03400 0.73  LDD1454 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 0.84  LDD1454 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 0.88  LDD1454 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 1.13  LDD1454 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 0.87  LDD1454 
Dynamin-1-like protein (DNM1L) LDTP00273 1.00  LDD1454 
Dynamin-2 (DNM2) LDTP04374 1.00  LDD1454 
E3 ubiquitin-protein ligase UBR5 (UBR5) LDTP01495 0.94  LDD1455 
Elongation factor 2 (EEF2) LDTP02672 0.99; 0.99  LDD1454 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 0.98  LDD1454 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 0.90  LDD1454 
ERO1-like protein alpha (ERO1A) LDTP10386 0.84; 0.96  LDD1454 
Ethylmalonyl-CoA decarboxylase (ECHDC1) LDTP16095 0.93  LDD1454 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.90  LDD1454 
Galactokinase (GALK1) LDTP04424 1.04  LDD1454 
Glutaredoxin-1 (GLRX) LDTP03786 1.14  LDD1455 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 0.86  LDD1454 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 2.06  LDD1454 
Glutathione S-transferase P (GSTP1) LDTP02333 2.32  LDD1454 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.88  LDD1454 
GMP reductase 2 (GMPR2) LDTP13080 0.86  LDD1454 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 1.02; 1.02  LDD1454 
Integrin-linked protein kinase (ILK) LDTP05859 0.96  LDD1454 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 0.90  LDD1454 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 0.45  LDD1454 
Ketosamine-3-kinase (FN3KRP) LDTP16025 1.09  LDD1455 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 0.98  LDD1454 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.98  LDD1454 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 1.57  LDD1455 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 1.31  LDD1454 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 0.90  LDD1454 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 0.91  LDD1454 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 0.98  LDD1455 
NmrA-like family domain-containing protein 1 (NMRAL1) LDTP12190 1.19  LDD1455 
Omega-amidase NIT2 (NIT2) LDTP12428 0.96  LDD1454 
Parkinson disease protein 7 (PARK7) LDTP10878 1.50  LDD1455 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 0.95  LDD1454 
Peroxiredoxin-4 (PRDX4) LDTP05773 1.07  LDD1454 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 0.64; 0.65  LDD1454 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 0.89  LDD1454 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 1.02  LDD1454 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 0.80  LDD1454 
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 1.12  LDD1454 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.87  LDD1454 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.90  LDD1454 
Protein disulfide-isomerase (P4HB) LDTP02188 0.81  LDD1454 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.93  LDD1454 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.91; 0.93  LDD1454 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.90  LDD1454 
Protein PML (PML) LDTP03496 1.00  LDD1454 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 1.02  LDD1454 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 1.12  LDD1454 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.92  LDD1454 
Pyruvate kinase PKM (PKM) LDTP02733 20.00  LDD1454 
Ras-related GTP-binding protein C (RRAGC) LDTP12166 1.09; 0.62  LDD1455 
Ribonuclease H2 subunit C (RNASEH2C) LDTP09446 0.72  LDD1454 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.73  LDD1454 
Serine/threonine-protein kinase Nek9 (NEK9) LDTP09412 0.89  LDD1455 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 1.05  LDD1454 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.02  LDD1454 
Thioredoxin (TXN) LDTP02502 0.92  LDD1454 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 1.00; 1.06  LDD1455 
Thymidine kinase, cytosolic (TK1) LDTP02022 0.99; 1.00  LDD1454 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 0.97; 1.19; 1.27  LDD1454 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 1.04; 1.03; 1.02  LDD1454 
Ubiquitin carboxyl-terminal hydrolase 16 (USP16) LDTP14159 1.09  LDD1454 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 1.02  LDD1454 
Ubiquitin-conjugating enzyme E2 S (UBE2S) LDTP06621 0.95  LDD1454 
Uridine phosphorylase 1 (UPP1) LDTP06643 0.85  LDD1454 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 0.90  LDD1454 
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⏷ Show the Full List of 96 Enzyme
15 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 1.00  LDD1454 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.94  LDD1454 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.90  LDD1454 
Exportin-1 (XPO1) LDTP00501 0.86  LDD1454 
Exportin-2 (CSE1L) LDTP04662 1.09  LDD1454 
Gasdermin-D (GSDMD) LDTP04801 1.05  LDD1454 
Nuclear pore complex protein Nup214 (NUP214) LDTP03777 1.06  LDD1454 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 1.04  LDD1454 
Nucleoporin NUP35 (NUP35) LDTP09204 0.92  LDD1454 
Protein SEC13 homolog (SEC13) LDTP04707 0.96  LDD1454 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 0.83  LDD1454 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 0.91  LDD1454 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 0.93  LDD1454 
THO complex subunit 6 homolog (THOC6) LDTP08315 0.88  LDD1454 
Unconventional myosin-Ic (MYO1C) LDTP00196 0.96  LDD1454 
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⏷ Show the Full List of 15 Transporter and channel
8 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 1.01  LDD1454 
Chromatin accessibility complex protein 1 (CHRAC1) LDTP12507 0.85  LDD1454 
eIF5-mimic protein 2 (BZW1) LDTP07940 0.81  LDD1454 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 1.01  LDD1454 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 0.93  LDD1454 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 0.93  LDD1454 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 1.16  LDD1455 
Zinc finger protein 217 (ZNF217) LDTP01191 1.05  LDD1454 
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⏷ Show the Full List of 8 Transcription factor
92 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 0.94  LDD1454 
Actin-related protein 3 (ACTR3) LDTP04902 0.93  LDD1454 
AH receptor-interacting protein (AIP) LDTP00202 0.88  LDD1455 
Alpha-actinin-1 (ACTN1) LDTP02631 0.80  LDD1454 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.04  LDD1454 
Anillin (ANLN) LDTP12443 1.12  LDD1454 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 0.83  LDD1454 
BRISC and BRCA1-A complex member 1 (BABAM1) LDTP12737 0.88  LDD1455 
Calponin-2 (CNN2) LDTP10864 1.01; 0.98  LDD1454 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 0.98  LDD1454 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 0.95  LDD1454 
Cofilin-1 (CFL1) LDTP03244 1.37  LDD1455 
Coronin-1C (CORO1C) LDTP13580 0.90; 0.78  LDD1454 
Crk-like protein (CRKL) LDTP04092 1.12  LDD1455 
Cyclin-H (CCNH) LDTP04487 1.09  LDD1454 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 0.91  LDD1454 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 1.05  LDD1455 
Dedicator of cytokinesis protein 7 (DOCK7) LDTP10613 1.48  LDD1454 
Disks large-associated protein 5 (DLGAP5) LDTP06378 0.98  LDD1454 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 0.72  LDD1455 
Dynactin subunit 1 (DCTN1) LDTP06082 0.94  LDD1454 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 0.88  LDD1455 
Eukaryotic translation initiation factor 3 subunit J (EIF3J) LDTP01320 1.02  LDD1454 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 0.77  LDD1454 
FH1/FH2 domain-containing protein 1 (FHOD1) LDTP14195 1.11  LDD1454 
Formin-binding protein 1-like (FNBP1L) LDTP07088 1.01  LDD1454 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 0.75  LDD1454 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 0.92  LDD1454 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 0.83  LDD1455 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 0.90  LDD1454 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 0.78  LDD1455 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.09  LDD1455 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.10  LDD1454 
Hsp70-binding protein 1 (HSPBP1) LDTP12914 1.12  LDD1455 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 1.03  LDD1454 
Inverted formin-2 (INF2) LDTP06681 1.12  LDD1454 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 1.06; 1.07  LDD1454 
LanC-like protein 2 (LANCL2) LDTP12571 0.86  LDD1454 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 1.01  LDD1454 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.86  LDD1454 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 1.03  LDD1454 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 1.12  LDD1454 
Large ribosomal subunit protein uL3 (RPL3) LDTP03865 1.04  LDD1454 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 1.06  LDD1454 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 1.25  LDD1454 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 1.21  LDD1455 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 1.21  LDD1454 
MOB-like protein phocein (MOB4) LDTP13964 0.96  LDD1454 
Multivesicular body subunit 12A (MVB12A) LDTP10284 0.95  LDD1454 
Nuclear migration protein nudC (NUDC) LDTP13817 0.86  LDD1454 
Nucleolar protein 58 (NOP58) LDTP13925 1.77  LDD1454 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.94  LDD1454 
Plastin-3 (PLS3) LDTP02692 0.90  LDD1454 
Plectin (PLEC) LDTP06330 1.00; 1.07  LDD1454 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.80; 1.13  LDD1454 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 1.17  LDD1455 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 0.78  LDD1454 
Protein lin-7 homolog C (LIN7C) LDTP12638 0.86  LDD1454 
Protein misato homolog 1 (MSTO1) LDTP11239 1.12  LDD1455 
Protein PAXX (PAXX) LDTP11235 0.85  LDD1454 
Protein S100-A11 (S100A11) LDTP03620 0.94  LDD1454 
Protein strawberry notch homolog 1 (SBNO1) LDTP14337 20.00  LDD1455 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 0.90  LDD1454 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 0.98  LDD1454 
Reticulon-4 (RTN4) LDTP12412 1.38  LDD1454 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 1.03  LDD1454 
Serpin H1 (SERPINH1) LDTP04363 0.98  LDD1454 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 0.86  LDD1454 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.07  LDD1454 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 0.87  LDD1454 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 0.98  LDD1454 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.02; 1.02  LDD1454 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 1.15  LDD1454 
SNW domain-containing protein 1 (SNW1) LDTP05930 0.49  LDD1454 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 0.94  LDD1454 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.97  LDD1454 
Structural maintenance of chromosomes protein 2 (SMC2) LDTP01567 0.79  LDD1455 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 0.92  LDD1454 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 0.82  LDD1455 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.04  LDD1454 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.86  LDD1454 
TBC1 domain family member 23 (TBC1D23) LDTP12651 0.94  LDD1454 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.01  LDD1455 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 0.87  LDD1454 
Transcription initiation factor IIA subunit 2 (GTF2A2) LDTP04517 0.91  LDD1454 
Treacle protein (TCOF1) LDTP05867 1.18  LDD1455 
Tropomodulin-3 (TMOD3) LDTP18494 0.97  LDD1454 
Tubulin beta chain (TUBB) LDTP02205 1.09; 0.96  LDD1454 
WD repeat and HMG-box DNA-binding protein 1 (WDHD1) LDTP01299 0.86  LDD1454 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 20.00  LDD1454 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 0.93  LDD1454 
ZW10 interactor (ZWINT) LDTP01532 0.98  LDD1454 
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⏷ Show the Full List of 92 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 Fragment53
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  LDD1454  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Fragment53
Competitor Concentration 500 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Lymph node
Disease Model Burkitt lymphoma [ICD-11:2A85]
Model Name Human burkitt lymphoma cell lysate (Ramos)
Interaction Atlas ID  LDD1455  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.