Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0584
Competitor Name
Fragment25
Synonyms
N-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanamide; 937604-58-5; N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-CHLOROPROPANAMIDE; CHEMBL5269119; SCHEMBL18763034; CTMSTGZMZGUIBJ-UHFFFAOYSA-N; MFCD00170293; AKOS005110698; MS-6286
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 319.63
Lipid-water partition coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C11H8ClF6NO
IUPAC Name
N-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanamide
Canonical SMILES
CC(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Cl
InChI
InChI=1S/C11H8ClF6NO/c1-5(12)9(20)19-8-3-6(10(13,14)15)2-7(4-8)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKey
CTMSTGZMZGUIBJ-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

92 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 0.60; 1.10  LDD1411 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.59  LDD1411 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 0.92  LDD1411 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 1.02  LDD1411 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 1.06  LDD1411 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 0.93  LDD1411 
6-phosphogluconolactonase (PGLS) LDTP14535 0.95  LDD1411 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 0.95  LDD1411 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.97; 0.93; 0.97 ...  LDD1411 
Aconitate hydratase, mitochondrial (ACO2) LDTP10982 0.97  LDD1411 
Adenosine kinase (ADK) LDTP04689 1.04  LDD1411 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 1.31  LDD1411 
AMP deaminase 2 (AMPD2) LDTP05289 0.93  LDD1411 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 0.86  LDD1411 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 0.71; 1.33  LDD1411 
Bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase (PAICS) LDTP03159 0.94  LDD1411 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 0.81  LDD1411 
Calpain-2 catalytic subunit (CAPN2) LDTP02911 1.01  LDD1411 
Caspase-8 (CASP8) LDTP06211 0.98  LDD1411 
Cathepsin B (CTSB) LDTP02223 0.91; 0.90  LDD1411 
Cathepsin D (CTSD) LDTP02198 0.97  LDD1411 
Cathepsin Z (CTSZ) LDTP13147 1.00  LDD1411 
Cell cycle checkpoint control protein RAD9A (RAD9A) LDTP10929 1.08  LDD1411 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 1.06  LDD1411 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 0.45  LDD1411 
Cytidine deaminase (CDA) LDTP03642 1.06  LDD1411 
Deoxycytidine kinase (DCK) LDTP03400 0.80; 0.80  LDD1411 
DNA repair protein RAD50 (RAD50) LDTP09912 0.94; 0.90; 0.98  LDD1411 
DNA replication licensing factor MCM5 (MCM5) LDTP03681 20.00  LDD1411 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 0.92  LDD1411 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 0.93  LDD1411 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 0.54  LDD1411 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 1.00  LDD1411 
Dynamin-1-like protein (DNM1L) LDTP00273 0.88  LDD1411 
Dynamin-2 (DNM2) LDTP04374 1.31  LDD1411 
Elongation factor 2 (EEF2) LDTP02672 0.92; 0.91  LDD1411 
ERO1-like protein alpha (ERO1A) LDTP10386 0.84; 0.98; 1.11  LDD1411 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.82  LDD1411 
General transcription and DNA repair factor IIH helicase subunit XPB (ERCC3) LDTP03000 0.94  LDD1411 
Glutaredoxin-1 (GLRX) LDTP03786 0.90  LDD1411 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 1.00  LDD1411 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 2.78  LDD1411 
Glutathione S-transferase P (GSTP1) LDTP02333 1.77  LDD1411 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.96  LDD1411 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 0.98  LDD1411 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 0.98; 0.92  LDD1411 
Integrin-linked protein kinase (ILK) LDTP05859 0.88  LDD1411 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.03  LDD1411 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 0.98  LDD1411 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 14.53  LDD1411 
Ketosamine-3-kinase (FN3KRP) LDTP16025 0.94  LDD1411 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 1.19  LDD1411 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.82  LDD1411 
Mitogen-activated protein kinase kinase kinase 20 (MAP3K20) LDTP12837 0.75  LDD1411 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.00  LDD1411 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 0.73  LDD1411 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 0.80; 0.84  LDD1411 
Omega-amidase NIT2 (NIT2) LDTP12428 1.06  LDD1411 
Parkinson disease protein 7 (PARK7) LDTP10878 0.94  LDD1411 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.00  LDD1411 
Peroxiredoxin-4 (PRDX4) LDTP05773 0.88  LDD1411 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 0.92  LDD1411 
Peroxisomal 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing] (DECR2) LDTP12627 1.69  LDD1411 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 1.44  LDD1411 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 1.26  LDD1411 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 0.89  LDD1411 
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 1.10  LDD1411 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.94  LDD1411 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.98  LDD1411 
Protein disulfide-isomerase (P4HB) LDTP02188 0.88  LDD1411 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.96  LDD1411 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.98; 0.96  LDD1411 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.99  LDD1411 
Protein PML (PML) LDTP03496 0.87  LDD1411 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 0.86  LDD1411 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 0.94  LDD1411 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.81  LDD1411 
Pyruvate kinase PKM (PKM) LDTP02733 0.96  LDD1411 
Ras-related GTP-binding protein C (RRAGC) LDTP12166 0.98; 0.90  LDD1411 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.86  LDD1411 
Serine/threonine-protein kinase MRCK beta (CDC42BPB) LDTP14155 0.98  LDD1411 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 0.71  LDD1411 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.10  LDD1411 
Thioredoxin (TXN) LDTP02502 0.95  LDD1411 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 0.93; 0.97  LDD1411 
Thymidine kinase, cytosolic (TK1) LDTP02022 0.91; 0.85  LDD1411 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 0.88; 0.86; 0.95  LDD1411 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 0.84; 0.97; 0.92  LDD1411 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 1.54  LDD1411 
Ubiquitin-conjugating enzyme E2 S (UBE2S) LDTP06621 0.99  LDD1411 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 1.35  LDD1411 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 1.11  LDD1411 
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⏷ Show the Full List of 92 Enzyme
14 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Apoptotic chromatin condensation inducer in the nucleus (ACIN1) LDTP13490 1.14  LDD1411 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.96  LDD1411 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.80  LDD1411 
Exportin-1 (XPO1) LDTP00501 0.90  LDD1411 
Exportin-2 (CSE1L) LDTP04662 0.93  LDD1411 
Gasdermin-D (GSDMD) LDTP04801 1.10  LDD1411 
Nuclear pore complex protein Nup214 (NUP214) LDTP03777 0.86  LDD1411 
Protein SEC13 homolog (SEC13) LDTP04707 1.02  LDD1411 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 1.09  LDD1411 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 1.15  LDD1411 
Sorting nexin-6 (SNX6) LDTP13661 1.00  LDD1411 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 0.97  LDD1411 
Thioredoxin-interacting protein (TXNIP) LDTP11873 1.18  LDD1411 
Unconventional myosin-Ic (MYO1C) LDTP00196 1.06  LDD1411 
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⏷ Show the Full List of 14 Transporter and channel
7 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 0.87  LDD1411 
eIF5-mimic protein 2 (BZW1) LDTP07940 0.64  LDD1411 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 0.93  LDD1411 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 0.86  LDD1411 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 0.81  LDD1411 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 0.94  LDD1411 
Zinc finger protein 217 (ZNF217) LDTP01191 20.00  LDD1411 
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⏷ Show the Full List of 7 Transcription factor
97 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
55 kDa erythrocyte membrane protein (MPP1) LDTP05233 1.08  LDD1411 
A-kinase anchor protein 8-like (AKAP8L) LDTP13591 1.19  LDD1411 
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 0.91  LDD1411 
Alpha-actinin-1 (ACTN1) LDTP02631 0.92  LDD1411 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.00; 0.95  LDD1411 
Anillin (ANLN) LDTP12443 0.90  LDD1411 
Ankyrin repeat and KH domain-containing protein 1 (ANKHD1) LDTP08573 0.85  LDD1411 
BRISC and BRCA1-A complex member 1 (BABAM1) LDTP12737 1.42  LDD1411 
Calponin-2 (CNN2) LDTP10864 0.85; 0.84  LDD1411 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 0.81  LDD1411 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 1.14  LDD1411 
Cofilin-1 (CFL1) LDTP03244 0.87  LDD1411 
Condensin complex subunit 1 (NCAPD2) LDTP06281 0.97  LDD1411 
Condensin complex subunit 2 (NCAPH) LDTP06268 0.86  LDD1411 
Coronin-1C (CORO1C) LDTP13580 0.87; 0.88  LDD1411 
Crk-like protein (CRKL) LDTP04092 0.79  LDD1411 
Cyclin-H (CCNH) LDTP04487 0.80  LDD1411 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 0.76  LDD1411 
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 0.83  LDD1411 
Cytosolic Fe-S cluster assembly factor NUBP1 (NUBP1) LDTP04560 0.90  LDD1411 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 0.80  LDD1411 
Dedicator of cytokinesis protein 7 (DOCK7) LDTP10613 0.84  LDD1411 
Disks large-associated protein 5 (DLGAP5) LDTP06378 1.10  LDD1411 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 0.62  LDD1411 
Dynactin subunit 1 (DCTN1) LDTP06082 0.99  LDD1411 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 0.87  LDD1411 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 20.00  LDD1411 
Eukaryotic translation initiation factor 3 subunit J (EIF3J) LDTP01320 1.18  LDD1411 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 0.79  LDD1411 
Formin-binding protein 1-like (FNBP1L) LDTP07088 0.87  LDD1411 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 0.86  LDD1411 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 1.13  LDD1411 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 1.11; 0.79  LDD1411 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 0.87  LDD1411 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.36  LDD1411 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.11  LDD1411 
Integrator complex subunit 13 (INTS13) LDTP12685 0.86  LDD1411 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 0.80  LDD1411 
Inverted formin-2 (INF2) LDTP06681 0.85; 1.06  LDD1411 
KH domain-containing RNA-binding protein QKI (QKI) LDTP10700 0.66  LDD1411 
Kinetochore protein NDC80 homolog (NDC80) LDTP00431 0.63  LDD1411 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 0.97; 0.79; 0.77 ...  LDD1411 
LanC-like protein 2 (LANCL2) LDTP12571 1.02  LDD1411 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 1.05; 0.87  LDD1411 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.43  LDD1411 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 0.87  LDD1411 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 0.92  LDD1411 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 0.80  LDD1411 
Leucine-rich repeat-containing protein 41 (LRRC41) LDTP06362 0.88  LDD1411 
LIM and calponin homology domains-containing protein 1 (LIMCH1) LDTP13705 0.68  LDD1411 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 1.00; 0.87  LDD1411 
Mediator of RNA polymerase II transcription subunit 17 (MED17) LDTP12669 0.80  LDD1411 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 0.98  LDD1411 
MOB-like protein phocein (MOB4) LDTP13964 0.92  LDD1411 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.00  LDD1411 
Nuclear migration protein nudC (NUDC) LDTP13817 0.94  LDD1411 
Nuclear mitotic apparatus protein 1 (NUMA1) LDTP06244 0.90  LDD1411 
Nucleolar protein 58 (NOP58) LDTP13925 0.62  LDD1411 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.82  LDD1411 
Plastin-3 (PLS3) LDTP02692 1.08  LDD1411 
Plectin (PLEC) LDTP06330 0.89; 1.33  LDD1411 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.77; 0.70  LDD1411 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 0.82  LDD1411 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 0.97  LDD1411 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 0.90  LDD1411 
Protein IMPACT (IMPACT) LDTP13088 0.87  LDD1411 
Protein misato homolog 1 (MSTO1) LDTP11239 1.41; 1.06  LDD1411 
Protein PAXX (PAXX) LDTP11235 0.91  LDD1411 
Protein S100-A11 (S100A11) LDTP03620 0.94  LDD1411 
Protein unc-45 homolog A (UNC45A) LDTP11890 0.93  LDD1411 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 1.12  LDD1411 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 1.25  LDD1411 
Serpin H1 (SERPINH1) LDTP04363 0.82  LDD1411 
Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 1.41  LDD1411 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 0.96  LDD1411 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 0.80  LDD1411 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 0.98  LDD1411 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 0.97; 0.88  LDD1411 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 1.55  LDD1411 
SNW domain-containing protein 1 (SNW1) LDTP05930 0.93  LDD1411 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 0.60  LDD1411 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.81  LDD1411 
Structural maintenance of chromosomes protein 2 (SMC2) LDTP01567 0.77  LDD1411 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 0.80  LDD1411 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 0.94  LDD1411 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.03  LDD1411 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.76  LDD1411 
Targeting protein for Xklp2 (TPX2) LDTP13583 1.20  LDD1411 
TBC1 domain family member 23 (TBC1D23) LDTP12651 0.80  LDD1411 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 0.79  LDD1411 
Treacle protein (TCOF1) LDTP05867 0.80; 1.01  LDD1411 
Tropomodulin-3 (TMOD3) LDTP18494 0.92  LDD1411 
Tubulin beta chain (TUBB) LDTP02205 1.00; 0.75  LDD1411 
Tubulin-specific chaperone D (TBCD) LDTP11212 0.92  LDD1411 
WD repeat and HMG-box DNA-binding protein 1 (WDHD1) LDTP01299 0.42  LDD1411 
WW domain-containing adapter protein with coiled-coil (WAC) LDTP11191 1.15  LDD1411 
ZW10 interactor (ZWINT) LDTP01532 1.10  LDD1411 
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⏷ Show the Full List of 97 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 Fragment25
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  LDD1411  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.