Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0592
Competitor Name
Fragment34
Synonyms
N-(adamantan-1-yl)-2-chloro-N-[(4-fluorophenyl)methyl]acetamide; 785792-27-0; N-1-adamantyl-2-chloro-N-(4-fluorobenzyl)acetamide; N-(1-adamantyl)-2-chloro-N-[(4-fluorophenyl)methyl]acetamide; C19H23ClFNO; SCHEMBL22196903; AKOS030748348; EN300-10645; G60031; Z56347478
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 335.8
Lipid-water partition coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H23ClFNO
IUPAC Name
N-(1-adamantyl)-2-chloro-N-[(4-fluorophenyl)methyl]acetamide
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CCl
InChI
InChI=1S/C19H23ClFNO/c20-11-18(23)22(12-13-1-3-17(21)4-2-13)19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-12H2
InChIKey
JMFUCWQPDQMNHC-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

67 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 1.31  LDD1427 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.81  LDD1427 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 0.92  LDD1427 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 0.82  LDD1427 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 0.88  LDD1427 
6-phosphogluconolactonase (PGLS) LDTP14535 0.88  LDD1427 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 0.87  LDD1427 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.84; 0.79; 0.91  LDD1427 
Adenosine kinase (ADK) LDTP04689 0.75  LDD1427 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 0.82  LDD1427 
AMP deaminase 2 (AMPD2) LDTP05289 0.99  LDD1427 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 0.82; 0.89  LDD1427 
ATPase WRNIP1 (WRNIP1) LDTP10801 0.82  LDD1427 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 0.84  LDD1427 
Cathepsin B (CTSB) LDTP02223 0.99; 0.89  LDD1427 
Cathepsin Z (CTSZ) LDTP13147 0.77; 1.01  LDD1427 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 1.06  LDD1428 
Cytidine deaminase (CDA) LDTP03642 0.92  LDD1427 
Deoxycytidine kinase (DCK) LDTP03400 0.81  LDD1427 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 0.80  LDD1427 
Dynamin-2 (DNM2) LDTP04374 0.76  LDD1427 
Elongation factor 2 (EEF2) LDTP02672 0.80; 0.87  LDD1427 
ERO1-like protein alpha (ERO1A) LDTP10386 0.62; 0.66; 0.72  LDD1427 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.95  LDD1427 
Galactokinase (GALK1) LDTP04424 0.90  LDD1427 
Glutaredoxin-1 (GLRX) LDTP03786 0.88  LDD1427 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 0.74  LDD1427 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1427 
Glutathione S-transferase P (GSTP1) LDTP02333 0.77  LDD1427 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.65  LDD1427 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 0.71  LDD1427 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 0.92  LDD1427 
Integrin-linked protein kinase (ILK) LDTP05859 0.84  LDD1427 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 0.82  LDD1427 
Ketosamine-3-kinase (FN3KRP) LDTP16025 1.15  LDD1428 
Lysine-specific demethylase RSBN1L (RSBN1L) LDTP17384 1.20  LDD1428 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 1.23  LDD1427 
Mitogen-activated protein kinase kinase kinase 20 (MAP3K20) LDTP12837 0.84  LDD1427 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.59  LDD1428 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 1.01  LDD1427 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 1.09  LDD1428 
Omega-amidase NIT2 (NIT2) LDTP12428 0.83  LDD1427 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.17  LDD1427 
Peroxiredoxin-4 (PRDX4) LDTP05773 0.69  LDD1427 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.43  LDD1428 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 0.64  LDD1427 
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 1.05  LDD1427 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.80  LDD1427 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.75  LDD1427 
Protein disulfide-isomerase (P4HB) LDTP02188 0.75  LDD1427 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.67  LDD1427 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.68; 0.67  LDD1427 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 0.90  LDD1427 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 0.92  LDD1427 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 1.04  LDD1428 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.72  LDD1427 
Pyruvate kinase PKM (PKM) LDTP02733 20.00  LDD1427 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 1.19  LDD1428 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 0.85  LDD1427 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 0.89  LDD1427 
Thioredoxin (TXN) LDTP02502 1.48  LDD1427 
Thymidine kinase, cytosolic (TK1) LDTP02022 0.95  LDD1427 
Transmembrane protease serine 12 (TMPRSS12) LDTP15306 1.26  LDD1428 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 0.88; 1.03; 1.04  LDD1427 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 0.86; 0.88; 1.06  LDD1427 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 1.10  LDD1428 
Uridine phosphorylase 1 (UPP1) LDTP06643 0.84  LDD1427 
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⏷ Show the Full List of 67 Enzyme
10 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 1.17  LDD1428 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.82  LDD1427 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.77  LDD1427 
Exportin-1 (XPO1) LDTP00501 0.84  LDD1427 
Gasdermin-D (GSDMD) LDTP04801 1.04  LDD1427 
Importin-7 (IPO7) LDTP01574 0.65  LDD1427 
Protein SEC13 homolog (SEC13) LDTP04707 0.82  LDD1427 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 1.41  LDD1428 
Sorting nexin-6 (SNX6) LDTP13661 0.98  LDD1428 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 0.89  LDD1427 
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⏷ Show the Full List of 10 Transporter and channel
3 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
eIF5-mimic protein 2 (BZW1) LDTP07940 0.85  LDD1427 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 0.85  LDD1427 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 0.81  LDD1427 
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53 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
55 kDa erythrocyte membrane protein (MPP1) LDTP05233 0.83  LDD1427 
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 1.29  LDD1428 
Actin-related protein 3 (ACTR3) LDTP04902 1.21  LDD1428 
AH receptor-interacting protein (AIP) LDTP00202 0.96  LDD1427 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 0.98  LDD1428 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 0.68  LDD1427 
BRISC and BRCA1-A complex member 1 (BABAM1) LDTP12737 0.82  LDD1427 
Calponin-2 (CNN2) LDTP10864 1.12; 1.00  LDD1427 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 0.81  LDD1427 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 0.82  LDD1427 
Coronin-1C (CORO1C) LDTP13580 0.78  LDD1427 
Crk-like protein (CRKL) LDTP04092 1.23  LDD1428 
Cytosolic Fe-S cluster assembly factor NUBP1 (NUBP1) LDTP04560 1.17  LDD1427 
Cytosolic iron-sulfur assembly component 2B (CIAO2B) LDTP13979 0.84  LDD1427 
Dynamin-binding protein (DNMBP) LDTP07755 1.12  LDD1428 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 1.79  LDD1428 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 0.96  LDD1428 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 0.70  LDD1427 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 1.20  LDD1428 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.07  LDD1427 
KH domain-containing RNA-binding protein QKI (QKI) LDTP10700 0.99  LDD1427 
LanC-like protein 2 (LANCL2) LDTP12571 0.70  LDD1427 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 1.11; 1.12  LDD1427 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.77  LDD1427 
Large ribosomal subunit protein uL16 (RPL10) LDTP03395 1.04  LDD1428 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 1.33  LDD1428 
MOB-like protein phocein (MOB4) LDTP13964 0.86  LDD1427 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 0.75  LDD1427 
Nuclear migration protein nudC (NUDC) LDTP13817 0.65  LDD1427 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.79  LDD1427 
Plastin-3 (PLS3) LDTP02692 0.78  LDD1427 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.60; 1.21  LDD1427 
Programmed cell death 6-interacting protein (PDCD6IP) LDTP09580 1.19  LDD1427 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 0.47  LDD1427 
Proteasome activator complex subunit 4 (PSME4) LDTP06250 1.04  LDD1428 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 1.14  LDD1428 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 1.02  LDD1428 
Reticulon-4 (RTN4) LDTP12412 0.84  LDD1427 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 0.90  LDD1427 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 1.29  LDD1427 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 1.19  LDD1428 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.15  LDD1427 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 2.60  LDD1427 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.70  LDD1427 
T-complex protein 1 subunit eta (CCT7) LDTP10990 0.90  LDD1427 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.72  LDD1427 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.09  LDD1428 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.10  LDD1428 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 0.48  LDD1427 
Treacle protein (TCOF1) LDTP05867 0.91  LDD1427 
Tubulin beta chain (TUBB) LDTP02205 0.98; 0.88  LDD1427 
Tubulin-specific chaperone D (TBCD) LDTP11212 0.81  LDD1427 
ZW10 interactor (ZWINT) LDTP01532 0.76  LDD1427 
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⏷ Show the Full List of 53 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 Fragment34
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  LDD1427  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method Isotope tag
Competitor Name Fragment34
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  LDD1428  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.