Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0602
Competitor Name
Fragment44
Synonyms
SCHEMBL6075407
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 255.65
Lipid-water partition coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H14ClNO6
IUPAC Name
2-chloro-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Canonical SMILES
C(C1C(C(C(C(O1)O)NC(=O)CCl)O)O)O
InChI
InChI=1S/C8H14ClNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6-,7-,8?/m1/s1
InChIKey
FWHXONMDYJDIIL-ZQLGFOCFSA-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

74 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 0.79; 0.81  LDD1443 
26S proteasome regulatory subunit 6B (PSMC4) LDTP04061 0.76  LDD1443 
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) LDTP10954 0.82  LDD1443 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 0.96  LDD1443 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 1.37  LDD1443 
6-phosphogluconolactonase (PGLS) LDTP14535 0.80  LDD1443 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 0.81  LDD1443 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 0.81; 0.82; 0.82 ...  LDD1443 
Adenosine kinase (ADK) LDTP04689 0.79  LDD1443 
Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 0.70  LDD1443 
AMP deaminase 2 (AMPD2) LDTP05289 0.82  LDD1443 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 0.54  LDD1443 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 0.85; 0.87  LDD1443 
ATPase WRNIP1 (WRNIP1) LDTP10801 0.84  LDD1443 
C-1-tetrahydrofolate synthase, cytoplasmic (MTHFD1) LDTP02580 0.78  LDD1443 
Cathepsin B (CTSB) LDTP02223 0.84  LDD1443 
Cathepsin Z (CTSZ) LDTP13147 0.89; 0.76  LDD1443 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 0.79  LDD1443 
DNA repair protein RAD50 (RAD50) LDTP09912 0.79  LDD1443 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 0.82  LDD1443 
Dual specificity protein phosphatase 12 (DUSP12) LDTP13663 0.82  LDD1443 
Dynamin-1-like protein (DNM1L) LDTP00273 0.81  LDD1443 
Dynamin-2 (DNM2) LDTP04374 0.88  LDD1443 
E3 ubiquitin-protein ligase UBR5 (UBR5) LDTP01495 0.72  LDD1443 
Elongation factor 2 (EEF2) LDTP02672 0.91; 0.74  LDD1443 
Enoyl-CoA delta isomerase 2 (ECI2) LDTP01245 0.81  LDD1443 
ERO1-like protein alpha (ERO1A) LDTP10386 0.71; 0.81; 0.86  LDD1443 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 0.85  LDD1443 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 0.78  LDD1443 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 0.50  LDD1443 
Glutathione S-transferase P (GSTP1) LDTP02333 0.88  LDD1443 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 0.72  LDD1443 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 0.80  LDD1443 
Glycogen phosphorylase, brain form (PYGB) LDTP02552 0.82  LDD1443 
Integrin-linked protein kinase (ILK) LDTP05859 0.80  LDD1443 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 0.78  LDD1443 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 0.83  LDD1443 
Ketosamine-3-kinase (FN3KRP) LDTP16025 0.76  LDD1443 
Mannose-1-phosphate guanyltransferase alpha (GMPPA) LDTP10418 0.83  LDD1443 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 0.78  LDD1443 
Mitogen-activated protein kinase kinase kinase 20 (MAP3K20) LDTP12837 0.82  LDD1443 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 0.80  LDD1443 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 0.26  LDD1443 
Omega-amidase NIT2 (NIT2) LDTP12428 0.82  LDD1443 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 0.82  LDD1443 
Peroxiredoxin-4 (PRDX4) LDTP05773 0.78  LDD1443 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 0.65; 0.76  LDD1443 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 0.83  LDD1443 
Probable ATP-dependent RNA helicase DDX59 (DDX59) LDTP07098 0.75  LDD1443 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 0.86  LDD1443 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 0.79  LDD1443 
Protein disulfide-isomerase (P4HB) LDTP02188 0.86  LDD1443 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 0.94  LDD1443 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 0.98; 0.94  LDD1443 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 1.01  LDD1443 
Protein PML (PML) LDTP03496 0.82  LDD1443 
Protein-glutamine gamma-glutamyltransferase 2 (TGM2) LDTP03146 0.56  LDD1443 
Pyrroline-5-carboxylate reductase 1, mitochondrial (PYCR1) LDTP03644 0.71  LDD1443 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 0.76  LDD1443 
Pyruvate kinase PKM (PKM) LDTP02733 0.79  LDD1443 
Ras-related GTP-binding protein C (RRAGC) LDTP12166 0.69  LDD1443 
Ribonuclease P/MRP protein subunit POP5 (POP5) LDTP10002 0.81  LDD1443 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 0.72  LDD1443 
Serine/threonine-protein kinase MRCK beta (CDC42BPB) LDTP14155 0.86  LDD1443 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 0.76  LDD1443 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 0.80  LDD1443 
Thioredoxin (TXN) LDTP02502 2.22  LDD1443 
Thioredoxin domain-containing protein 5 (TXNDC5) LDTP09067 1.02  LDD1443 
Thymidine kinase, cytosolic (TK1) LDTP02022 0.80; 0.87  LDD1443 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 0.80; 0.81; 0.90  LDD1443 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 0.80; 0.82; 0.78  LDD1443 
Ubiquitin-conjugating enzyme E2 S (UBE2S) LDTP06621 0.75  LDD1443 
Uridine phosphorylase 1 (UPP1) LDTP06643 0.80  LDD1443 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 0.81  LDD1443 
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⏷ Show the Full List of 74 Enzyme
11 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 0.93  LDD1443 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 0.83  LDD1443 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 0.81  LDD1443 
Exportin-1 (XPO1) LDTP00501 0.79  LDD1443 
Exportin-2 (CSE1L) LDTP04662 0.67  LDD1443 
Gasdermin-D (GSDMD) LDTP04801 0.78  LDD1443 
Protein SEC13 homolog (SEC13) LDTP04707 0.80  LDD1443 
Signal recognition particle 9 kDa protein (SRP9) LDTP04259 0.74  LDD1443 
Sorting nexin-6 (SNX6) LDTP13661 0.81  LDD1443 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 0.02  LDD1443 
Unconventional myosin-Ic (MYO1C) LDTP00196 0.71  LDD1443 
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⏷ Show the Full List of 11 Transporter and channel
6 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 0.88  LDD1443 
eIF5-mimic protein 2 (BZW1) LDTP07940 0.84  LDD1443 
Non-POU domain-containing octamer-binding protein (NONO) LDTP06341 0.78  LDD1443 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 0.86  LDD1443 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 0.78  LDD1443 
SWI/SNF complex subunit SMARCC2 (SMARCC2) LDTP09311 0.97  LDD1443 
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⏷ Show the Full List of 6 Transcription factor
58 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin-related protein 2/3 complex subunit 3 (ARPC3) LDTP00552 0.86  LDD1443 
Alpha-actinin-1 (ACTN1) LDTP02631 0.78  LDD1443 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 0.97  LDD1443 
Anillin (ANLN) LDTP12443 0.90  LDD1443 
Ataxin-7-like protein 3B (ATXN7L3B) LDTP15730 0.74  LDD1443 
Calponin-2 (CNN2) LDTP10864 0.82; 0.82  LDD1443 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 0.98  LDD1443 
Condensin complex subunit 2 (NCAPH) LDTP06268 0.78  LDD1443 
Coronin-1C (CORO1C) LDTP13580 0.81  LDD1443 
Crk-like protein (CRKL) LDTP04092 0.71  LDD1443 
Dedicator of cytokinesis protein 7 (DOCK7) LDTP10613 0.77  LDD1443 
Disks large-associated protein 5 (DLGAP5) LDTP06378 0.77  LDD1443 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 0.37  LDD1443 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 0.87  LDD1443 
H/ACA ribonucleoprotein complex subunit 2 (NHP2) LDTP12754 0.70  LDD1443 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 0.82  LDD1443 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 0.78  LDD1443 
Hsp70-binding protein 1 (HSPBP1) LDTP12914 0.82  LDD1443 
Integrator complex subunit 13 (INTS13) LDTP12685 0.79  LDD1443 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 0.86  LDD1443 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 0.90  LDD1443 
LanC-like protein 2 (LANCL2) LDTP12571 0.82  LDD1443 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 0.79  LDD1443 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.71  LDD1443 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 0.90  LDD1443 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 0.83  LDD1443 
MOB-like protein phocein (MOB4) LDTP13964 0.79  LDD1443 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 0.80  LDD1443 
Nuclear migration protein nudC (NUDC) LDTP13817 0.81  LDD1443 
Nucleolar protein 58 (NOP58) LDTP13925 0.81  LDD1443 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.78  LDD1443 
Plastin-3 (PLS3) LDTP02692 0.80  LDD1443 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 0.80; 0.93  LDD1443 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 0.66  LDD1443 
Protein diaphanous homolog 1 (DIAPH1) LDTP01011 0.76  LDD1443 
Protein lin-7 homolog C (LIN7C) LDTP12638 0.80  LDD1443 
Protein PAXX (PAXX) LDTP11235 0.76  LDD1443 
Protein S100-A11 (S100A11) LDTP03620 0.80  LDD1443 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 0.82  LDD1443 
Reticulon-4 (RTN4) LDTP12412 0.72  LDD1443 
Ribosomal protein eL42-like (RPL36AL) LDTP15677 0.72  LDD1443 
Serpin H1 (SERPINH1) LDTP04363 0.73  LDD1443 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 0.77  LDD1443 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 0.86  LDD1443 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 0.82; 1.06  LDD1443 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 0.79  LDD1443 
SNW domain-containing protein 1 (SNW1) LDTP05930 0.73  LDD1443 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 0.88  LDD1443 
T-complex protein 1 subunit eta (CCT7) LDTP10990 0.81  LDD1443 
T-complex protein 1 subunit theta (CCT8) LDTP04390 0.80  LDD1443 
Targeting protein for Xklp2 (TPX2) LDTP13583 0.78  LDD1443 
TBC1 domain family member 23 (TBC1D23) LDTP12651 0.79  LDD1443 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 0.74  LDD1443 
Tropomodulin-3 (TMOD3) LDTP18494 0.79  LDD1443 
Tubulin beta chain (TUBB) LDTP02205 0.84; 0.80  LDD1443 
Tubulin-specific chaperone D (TBCD) LDTP11212 0.83  LDD1443 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 0.58  LDD1443 
ZW10 interactor (ZWINT) LDTP01532 0.96  LDD1443 
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⏷ Show the Full List of 58 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 Fragment44
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  LDD1443  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.