Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0593
Competitor Name
Fragment35
Synonyms
436087-22-8; N-(2-Azepan-1-yl-phenyl)-2-chloro-acetamide; N-[2-(azepan-1-yl)phenyl]-2-chloroacetamide; N-(2-(Azepan-1-yl)phenyl)-2-chloroacetamide; N-(2-AZEPAN-1-YL-PHENYL)-2-CHLOROACETAMIDE; DTXSID80355287; AKOS000300665; PS-0357; SR-01000370516; SR-01000370516-1
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.76
Lipid-water partition coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H19ClN2O
IUPAC Name
N-[2-(azepan-1-yl)phenyl]-2-chloroacetamide
Canonical SMILES
C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCl
InChI
InChI=1S/C14H19ClN2O/c15-11-14(18)16-12-7-3-4-8-13(12)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,18)
InChIKey
HAGDLBIXXCCOEH-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

73 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 0.79  LDD1429 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.58  LDD1429 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 0.78  LDD1429 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 0.74  LDD1429 
3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 0.83  LDD1429 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 1.14  LDD1430 
6-phosphogluconolactonase (PGLS) LDTP14535 1.14  LDD1430 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 0.74  LDD1429 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.91; 0.87  LDD1429 
Adenosine kinase (ADK) LDTP04689 0.79  LDD1429 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 1.12  LDD1429 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 1.30  LDD1430 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 0.70  LDD1429 
ATPase WRNIP1 (WRNIP1) LDTP10801 0.90  LDD1429 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 1.76  LDD1430 
Caspase-8 (CASP8) LDTP06211 1.31  LDD1430 
Cathepsin B (CTSB) LDTP02223 0.78; 0.74  LDD1429 
Cathepsin Z (CTSZ) LDTP13147 1.08  LDD1429 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 1.25  LDD1429 
Cyclin-dependent kinase 19 (CDK19) LDTP11340 1.00  LDD1430 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 0.87  LDD1430 
D-3-phosphoglycerate dehydrogenase (PHGDH) LDTP00701 1.33  LDD1430 
Deoxycytidine kinase (DCK) LDTP03400 0.98; 0.93  LDD1430 
DNA repair protein RAD50 (RAD50) LDTP09912 1.05  LDD1430 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 0.83  LDD1429 
Double-stranded RNA-specific adenosine deaminase (ADAR) LDTP04690 0.86  LDD1429 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 0.75  LDD1429 
Dynamin-2 (DNM2) LDTP04374 0.80  LDD1429 
Elongation factor 2 (EEF2) LDTP02672 0.85; 0.89  LDD1429 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 0.89  LDD1430 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 0.69  LDD1429 
ERO1-like protein alpha (ERO1A) LDTP10386 1.16; 0.92  LDD1429 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.83  LDD1430 
Galactokinase (GALK1) LDTP04424 1.34  LDD1429 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 1.32  LDD1429 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 1.52  LDD1430 
Glutathione S-transferase P (GSTP1) LDTP02333 0.71  LDD1429 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.90  LDD1429 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 0.96  LDD1430 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 0.78  LDD1429 
Integrin-linked protein kinase (ILK) LDTP05859 0.80  LDD1429 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.02  LDD1429 
Ketosamine-3-kinase (FN3KRP) LDTP16025 1.25  LDD1430 
Lysine-specific demethylase 4B (KDM4B) LDTP01470 1.14  LDD1430 
Lysine-specific demethylase RSBN1L (RSBN1L) LDTP17384 1.07  LDD1430 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.95  LDD1430 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 1.19  LDD1430 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.00  LDD1429 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 0.82  LDD1430 
Omega-amidase NIT2 (NIT2) LDTP12428 0.96  LDD1429 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 0.74  LDD1429 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 0.87  LDD1429 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 0.78  LDD1429 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 1.26  LDD1430 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.94  LDD1429 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.79  LDD1429 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.88  LDD1429 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.86; 0.88  LDD1429 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.89  LDD1429 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 0.97  LDD1430 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.73  LDD1429 
Pyruvate kinase PKM (PKM) LDTP02733 0.86  LDD1430 
Ribonuclease H2 subunit C (RNASEH2C) LDTP09446 0.43  LDD1429 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.92  LDD1430 
Serine/threonine-protein kinase Nek9 (NEK9) LDTP09412 1.57  LDD1430 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 0.89  LDD1430 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 0.88  LDD1429 
Thioredoxin (TXN) LDTP02502 1.12  LDD1429 
Thymidine kinase, cytosolic (TK1) LDTP02022 0.95; 0.95  LDD1430 
Transmembrane protease serine 12 (TMPRSS12) LDTP15306 0.76  LDD1430 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 0.84; 0.87; 1.00  LDD1429 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 0.93; 0.84; 0.88  LDD1429 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 0.87  LDD1429 
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⏷ Show the Full List of 73 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 1.00  LDD1429 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 1.24  LDD1430 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.91  LDD1429 
Exportin-1 (XPO1) LDTP00501 0.81  LDD1429 
Exportin-2 (CSE1L) LDTP04662 1.05  LDD1430 
Gasdermin-D (GSDMD) LDTP04801 0.64  LDD1429 
Importin-7 (IPO7) LDTP01574 0.82  LDD1429 
Nuclear pore complex protein Nup214 (NUP214) LDTP03777 1.38  LDD1430 
Pinin (PNN) LDTP11855 2.09  LDD1430 
Protein SEC13 homolog (SEC13) LDTP04707 1.00  LDD1430 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 0.92  LDD1430 
Small ribosomal subunit protein RACK1 (RACK1) LDTP05057 0.92  LDD1429 
Sorting nexin-6 (SNX6) LDTP13661 0.80  LDD1430 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 4.42  LDD1429 
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⏷ Show the Full List of 14 Transporter and channel
6 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 1.36  LDD1430 
eIF5-mimic protein 2 (BZW1) LDTP07940 0.72  LDD1429 
Glucocorticoid receptor (NR3C1) LDTP02016 0.91  LDD1430 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 0.83  LDD1429 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 0.56  LDD1429 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 0.90  LDD1429 
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⏷ Show the Full List of 6 Transcription factor
79 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
A-kinase anchor protein 8-like (AKAP8L) LDTP13591 0.95  LDD1430 
Actin-related protein 3 (ACTR3) LDTP04902 1.14  LDD1430 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.02  LDD1430 
Anillin (ANLN) LDTP12443 0.66  LDD1429 
Calponin-2 (CNN2) LDTP10864 0.93; 1.02  LDD1430 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 1.08  LDD1430 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 0.81  LDD1429 
Condensin complex subunit 1 (NCAPD2) LDTP06281 1.41  LDD1430 
Conserved oligomeric Golgi complex subunit 1 (COG1) LDTP09549 1.31  LDD1430 
Coronin-1C (CORO1C) LDTP13580 0.81; 0.90  LDD1429 
Crk-like protein (CRKL) LDTP04092 1.24  LDD1430 
Cyclin-H (CCNH) LDTP04487 0.82  LDD1429 
Cysteine and glycine-rich protein 2 (CSRP2) LDTP06542 0.78  LDD1429 
Cytoplasmic dynein 1 heavy chain 1 (DYNC1H1) LDTP06083 0.84  LDD1429 
Cytosolic Fe-S cluster assembly factor NUBP1 (NUBP1) LDTP04560 0.86  LDD1429 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 1.16  LDD1430 
Dynactin subunit 1 (DCTN1) LDTP06082 0.94  LDD1430 
Dynamin-binding protein (DNMBP) LDTP07755 1.36  LDD1430 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 0.63  LDD1430 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 0.98  LDD1430 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 0.78  LDD1430 
Formin-binding protein 1-like (FNBP1L) LDTP07088 0.61  LDD1429 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 0.84  LDD1430 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 1.12  LDD1430 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 1.02  LDD1430 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 1.00  LDD1430 
Heterogeneous nuclear ribonucleoprotein R (HNRNPR) LDTP00756 1.17  LDD1430 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.25  LDD1430 
Integrator complex subunit 13 (INTS13) LDTP12685 0.84  LDD1429 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 0.92  LDD1429 
Inverted formin-2 (INF2) LDTP06681 1.08  LDD1429 
Kinectin (KTN1) LDTP08238 1.08  LDD1429 
Kinetochore protein NDC80 homolog (NDC80) LDTP00431 1.24  LDD1430 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 0.94; 0.71  LDD1429 
LanC-like protein 2 (LANCL2) LDTP12571 0.83  LDD1430 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 0.95; 1.02  LDD1430 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.88  LDD1430 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 0.88  LDD1430 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 0.85  LDD1430 
Large ribosomal subunit protein uL4 (RPL4) LDTP03815 1.02  LDD1430 
Mediator of RNA polymerase II transcription subunit 15 (MED15) LDTP10771 0.73  LDD1429 
Mediator of RNA polymerase II transcription subunit 17 (MED17) LDTP12669 0.91  LDD1429 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 1.08  LDD1429 
Multivesicular body subunit 12A (MVB12A) LDTP10284 0.88  LDD1429 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 0.86  LDD1429 
Nuclear migration protein nudC (NUDC) LDTP13817 0.77  LDD1429 
Nuclear mitotic apparatus protein 1 (NUMA1) LDTP06244 0.76  LDD1429 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.95  LDD1429 
Plastin-3 (PLS3) LDTP02692 0.83  LDD1429 
Plectin (PLEC) LDTP06330 0.79  LDD1429 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.90  LDD1429 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 0.70  LDD1430 
Proteasome activator complex subunit 4 (PSME4) LDTP06250 0.95  LDD1430 
Protein CBFA2T2 (CBFA2T2) LDTP00768 0.82  LDD1430 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 0.51  LDD1429 
Protein PAXX (PAXX) LDTP11235 1.17  LDD1430 
Protein unc-45 homolog A (UNC45A) LDTP11890 0.85  LDD1430 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 1.04  LDD1430 
Reticulon-4 (RTN4) LDTP12412 1.38  LDD1429 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 0.86  LDD1430 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 0.63  LDD1429 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 0.85  LDD1429 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 0.75  LDD1429 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 0.75  LDD1429 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.87  LDD1429 
Structural maintenance of chromosomes protein 2 (SMC2) LDTP01567 0.98  LDD1430 
T-complex protein 1 subunit alpha (TCP1) LDTP02934 1.09  LDD1429 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 0.85  LDD1429 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.06  LDD1430 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.80  LDD1430 
TBC1 domain family member 23 (TBC1D23) LDTP12651 0.76  LDD1429 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.08  LDD1430 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 0.94  LDD1430 
Transcription elongation regulator 1 (TCERG1) LDTP00430 0.76  LDD1430 
Treacle protein (TCOF1) LDTP05867 1.06  LDD1429 
Tropomodulin-3 (TMOD3) LDTP18494 0.86  LDD1429 
Tubulin beta chain (TUBB) LDTP02205 0.86; 0.84  LDD1429 
WD repeat and HMG-box DNA-binding protein 1 (WDHD1) LDTP01299 0.97  LDD1430 
ZW10 interactor (ZWINT) LDTP01532 1.16  LDD1430 
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⏷ Show the Full List of 79 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 Fragment35
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  LDD1429  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Fragment35
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  LDD1430  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.