Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0608
Competitor Name
Fragment50
Synonyms
1-(5-Bromoindolin-1-yl)-2-chloroethan-1-one; 87866-10-2; 1-(5-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone; 1-(5-bromo-2,3-dihydro-1H-indol-1-yl)-2-chloroethanone; SCHEMBL18763042; STL376789; AKOS000399729; DB-406735; G64374; Z111457176
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 274.54
Lipid-water partition coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H9BrClNO
IUPAC Name
1-(5-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
Canonical SMILES
C1CN(C2=C1C=C(C=C2)Br)C(=O)CCl
InChI
InChI=1S/C10H9BrClNO/c11-8-1-2-9-7(5-8)3-4-13(9)10(14)6-12/h1-2,5H,3-4,6H2
InChIKey
AWKDKABVXZTIMG-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

77 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 1.83  LDD1449 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 3.09  LDD1449 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 20.00  LDD1449 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 0.62  LDD1449 
6-phosphogluconolactonase (PGLS) LDTP14535 1.82  LDD1449 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 7.29  LDD1449 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 2.12; 3.88; 9.23 ...  LDD1449 
Adenosine kinase (ADK) LDTP04689 14.39  LDD1449 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 1.07  LDD1449 
AMP deaminase 2 (AMPD2) LDTP05289 2.30  LDD1449 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 2.36  LDD1449 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 1.63; 2.42  LDD1449 
ATPase WRNIP1 (WRNIP1) LDTP10801 2.16  LDD1449 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 2.26  LDD1449 
Bleomycin hydrolase (BLMH) LDTP05992 0.82  LDD1449 
Calpain-2 catalytic subunit (CAPN2) LDTP02911 1.96  LDD1449 
Cathepsin B (CTSB) LDTP02223 2.14  LDD1449 
Cathepsin D (CTSD) LDTP02198 6.19  LDD1449 
Cathepsin Z (CTSZ) LDTP13147 1.37; 2.15  LDD1449 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 2.09  LDD1449 
Cytidine deaminase (CDA) LDTP03642 20.00  LDD1449 
DNA repair protein RAD50 (RAD50) LDTP09912 3.23  LDD1449 
DNA replication licensing factor MCM5 (MCM5) LDTP03681 20.00  LDD1449 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 2.00  LDD1449 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 20.00  LDD1449 
Dynamin-2 (DNM2) LDTP04374 1.29  LDD1449 
E3 ubiquitin-protein ligase HUWE1 (HUWE1) LDTP08135 1.14  LDD1449 
E3 ubiquitin-protein ligase UBR5 (UBR5) LDTP01495 1.56  LDD1449 
Elongation factor 2 (EEF2) LDTP02672 2.54; 1.25  LDD1449 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 1.41  LDD1449 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 1.36  LDD1449 
ERO1-like protein alpha (ERO1A) LDTP10386 2.70; 1.36  LDD1449 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 2.21  LDD1449 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 1.64  LDD1449 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1449 
Glutathione S-transferase P (GSTP1) LDTP02333 2.28  LDD1449 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 1.12  LDD1449 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 1.59  LDD1449 
GMP reductase 2 (GMPR2) LDTP13080 1.24  LDD1449 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 20.00; 6.15  LDD1449 
Integrin-linked protein kinase (ILK) LDTP05859 1.34  LDD1449 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.84  LDD1449 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 20.00  LDD1449 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 2.21  LDD1449 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 2.39  LDD1449 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 20.00  LDD1449 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 1.28  LDD1449 
NEDD8-activating enzyme E1 catalytic subunit (UBA3) LDTP09338 1.60  LDD1449 
Omega-amidase NIT2 (NIT2) LDTP12428 1.78  LDD1449 
Parkinson disease protein 7 (PARK7) LDTP10878 9.41  LDD1449 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 2.03  LDD1449 
Peroxiredoxin-4 (PRDX4) LDTP05773 3.05  LDD1449 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.50  LDD1449 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 1.08  LDD1449 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.96  LDD1449 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.99  LDD1449 
Protein disulfide-isomerase (P4HB) LDTP02188 3.12  LDD1449 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 1.51  LDD1449 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 1.70; 1.51  LDD1449 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 1.27  LDD1449 
Protein PML (PML) LDTP03496 1.82  LDD1449 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 1.23  LDD1449 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 20.00  LDD1449 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 2.16  LDD1449 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 1.05  LDD1449 
Pyruvate kinase PKM (PKM) LDTP02733 1.34  LDD1449 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 1.11  LDD1449 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 0.89  LDD1449 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 2.55  LDD1449 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.83  LDD1449 
Thioredoxin (TXN) LDTP02502 6.38  LDD1449 
Thymidine kinase, cytosolic (TK1) LDTP02022 3.22; 1.50  LDD1449 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 2.44; 3.66; 2.21  LDD1449 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 1.90; 2.39; 1.98  LDD1449 
Ubiquitin-conjugating enzyme E2 S (UBE2S) LDTP06621 0.84  LDD1449 
Uridine phosphorylase 1 (UPP1) LDTP06643 0.99  LDD1449 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 1.26  LDD1449 
------------------------------------------------------------------------------------
⏷ Show the Full List of 77 Enzyme
15 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 1.78  LDD1449 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 1.25  LDD1449 
Exportin-1 (XPO1) LDTP00501 1.22  LDD1449 
Exportin-2 (CSE1L) LDTP04662 3.89  LDD1449 
Gasdermin-D (GSDMD) LDTP04801 20.00  LDD1449 
Importin-7 (IPO7) LDTP01574 0.79  LDD1449 
Nuclear pore complex protein Nup214 (NUP214) LDTP03777 1.48  LDD1449 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 20.00  LDD1449 
Nucleoporin NUP35 (NUP35) LDTP09204 1.31  LDD1449 
Protein SEC13 homolog (SEC13) LDTP04707 4.90  LDD1449 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 0.83  LDD1449 
Sorting nexin-6 (SNX6) LDTP13661 1.98  LDD1449 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 5.61  LDD1449 
THO complex subunit 6 homolog (THOC6) LDTP08315 20.00  LDD1449 
Unconventional myosin-Ic (MYO1C) LDTP00196 2.63  LDD1449 
------------------------------------------------------------------------------------
⏷ Show the Full List of 15 Transporter and channel
6 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
eIF5-mimic protein 2 (BZW1) LDTP07940 0.96  LDD1449 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 1.42  LDD1449 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 0.31  LDD1449 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 1.50  LDD1449 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 2.28  LDD1449 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 2.82  LDD1449 
------------------------------------------------------------------------------------
⏷ Show the Full List of 6 Transcription factor
70 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 1.74  LDD1449 
AH receptor-interacting protein (AIP) LDTP00202 2.31  LDD1449 
Alpha-actinin-1 (ACTN1) LDTP02631 0.85  LDD1449 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 20.00  LDD1449 
Anillin (ANLN) LDTP12443 1.69  LDD1449 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 1.61  LDD1449 
Calponin-2 (CNN2) LDTP10864 2.32; 1.81  LDD1449 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 1.91  LDD1449 
Cofilin-1 (CFL1) LDTP03244 0.70  LDD1449 
Coronin-1C (CORO1C) LDTP13580 1.41; 1.25  LDD1449 
Crk-like protein (CRKL) LDTP04092 3.62  LDD1449 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 1.46  LDD1449 
Dedicator of cytokinesis protein 7 (DOCK7) LDTP10613 1.52  LDD1449 
Disks large-associated protein 5 (DLGAP5) LDTP06378 20.00  LDD1449 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 1.58  LDD1449 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 3.78  LDD1449 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 1.05  LDD1449 
Formin-binding protein 1-like (FNBP1L) LDTP07088 6.57  LDD1449 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 1.10  LDD1449 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 2.01  LDD1449 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 1.99  LDD1449 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 1.33  LDD1449 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 1.07  LDD1449 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 8.77  LDD1449 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 3.23  LDD1449 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 3.36  LDD1449 
Inverted formin-2 (INF2) LDTP06681 4.21  LDD1449 
KH domain-containing RNA-binding protein QKI (QKI) LDTP10700 1.30  LDD1449 
Kinectin (KTN1) LDTP08238 4.59  LDD1449 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 1.84; 2.52; 2.28 ...  LDD1449 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 2.54; 3.19  LDD1449 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 2.39  LDD1449 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 1.58  LDD1449 
Leucine-rich repeat-containing protein 41 (LRRC41) LDTP06362 2.25  LDD1449 
LIM and calponin homology domains-containing protein 1 (LIMCH1) LDTP13705 2.20  LDD1449 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 2.27  LDD1449 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 3.96  LDD1449 
MOB-like protein phocein (MOB4) LDTP13964 1.23  LDD1449 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.13  LDD1449 
Nuclear migration protein nudC (NUDC) LDTP13817 1.05  LDD1449 
Plectin (PLEC) LDTP06330 1.45  LDD1449 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 1.06; 3.29  LDD1449 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 0.96  LDD1449 
Protein IMPACT (IMPACT) LDTP13088 20.00  LDD1449 
Protein lin-7 homolog C (LIN7C) LDTP12638 2.92  LDD1449 
Protein misato homolog 1 (MSTO1) LDTP11239 1.29  LDD1449 
Protein PAXX (PAXX) LDTP11235 2.29  LDD1449 
Protein S100-A11 (S100A11) LDTP03620 2.42  LDD1449 
Protein strawberry notch homolog 1 (SBNO1) LDTP14337 1.49  LDD1449 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 2.66  LDD1449 
Reticulon-4 (RTN4) LDTP12412 20.00  LDD1449 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 2.20  LDD1449 
Serpin H1 (SERPINH1) LDTP04363 2.41  LDD1449 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 5.06  LDD1449 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 1.59  LDD1449 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 2.05  LDD1449 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 5.31; 1.62  LDD1449 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 4.06  LDD1449 
SNW domain-containing protein 1 (SNW1) LDTP05930 4.44  LDD1449 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 1.26  LDD1449 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 4.46  LDD1449 
T-complex protein 1 subunit eta (CCT7) LDTP10990 2.06  LDD1449 
T-complex protein 1 subunit theta (CCT8) LDTP04390 1.57  LDD1449 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.13  LDD1449 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.16  LDD1449 
Treacle protein (TCOF1) LDTP05867 3.79  LDD1449 
Tropomodulin-3 (TMOD3) LDTP18494 2.03  LDD1449 
Tubulin beta chain (TUBB) LDTP02205 2.59; 1.78  LDD1449 
WD repeat and HMG-box DNA-binding protein 1 (WDHD1) LDTP01299 1.65  LDD1449 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 20.00  LDD1449 
------------------------------------------------------------------------------------
⏷ Show the Full List of 70 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 Fragment50
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  LDD1449  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.