Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0612
Competitor Name
Fragment54
Synonyms
SCHEMBL18763024
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.67
Lipid-water partition coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H13ClN2O3
IUPAC Name
2-chloro-N-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]acetamide
Canonical SMILES
CC1=NC=C(C(=C1O)CNC(=O)CCl)CO
InChI
InChI=1S/C10H13ClN2O3/c1-6-10(16)8(4-13-9(15)2-11)7(5-14)3-12-6/h3,14,16H,2,4-5H2,1H3,(H,13,15)
InChIKey
OCAATDJIIWSKFF-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

63 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 10B (PSMC6) LDTP04987 1.11; 1.13  LDD1456 
3-ketoacyl-CoA thiolase, mitochondrial (ACAA2) LDTP03998 0.73  LDD1456 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 1.14  LDD1456 
6-phosphogluconolactonase (PGLS) LDTP14535 1.24  LDD1456 
60 kDa heat shock protein, mitochondrial (HSPD1) LDTP02522 1.05  LDD1456 
Acetyl-CoA acetyltransferase, mitochondrial (ACAT1) LDTP03291 1.00; 1.10; 1.08 ...  LDD1456 
Adenosine kinase (ADK) LDTP04689 1.03  LDD1456 
Arginine--tRNA ligase, cytoplasmic (RARS1) LDTP04601 1.69  LDD1456 
ATP-dependent 6-phosphofructokinase, platelet type (PFKP) LDTP05314 1.16; 1.07  LDD1456 
Caspase-8 (CASP8) LDTP06211 1.16  LDD1456 
Cathepsin B (CTSB) LDTP02223 1.28  LDD1456 
Cathepsin Z (CTSZ) LDTP13147 1.07  LDD1456 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 1.11  LDD1456 
Deoxycytidine kinase (DCK) LDTP03400 1.02  LDD1456 
DNA repair protein RAD50 (RAD50) LDTP09912 1.64  LDD1456 
Dual specificity mitogen-activated protein kinase kinase 4 (MAP2K4) LDTP04077 1.13  LDD1456 
Dynamin-2 (DNM2) LDTP04374 1.28  LDD1456 
Elongation factor 2 (EEF2) LDTP02672 1.36; 1.08  LDD1456 
ERO1-like protein alpha (ERO1A) LDTP10386 1.23; 1.20; 1.13  LDD1456 
Eukaryotic translation initiation factor 3 subunit F (EIF3F) LDTP00246 1.11  LDD1456 
Glutaredoxin-related protein 5, mitochondrial (GLRX5) LDTP08181 1.05  LDD1456 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1456 
Glutathione S-transferase P (GSTP1) LDTP02333 1.30  LDD1456 
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) LDTP02038 1.09  LDD1456 
Glycerol-3-phosphate phosphatase (PGP) LDTP00089 1.19  LDD1456 
GMP reductase 2 (GMPR2) LDTP13080 1.15  LDD1456 
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) LDTP02611 1.20  LDD1456 
Integrin-linked protein kinase (ILK) LDTP05859 1.02  LDD1456 
Isoamyl acetate-hydrolyzing esterase 1 homolog (IAH1) LDTP17082 1.15  LDD1456 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 1.11  LDD1456 
Ketosamine-3-kinase (FN3KRP) LDTP16025 1.33  LDD1456 
Medium-chain acyl-CoA ligase ACSF2, mitochondrial (ACSF2) LDTP10177 1.15  LDD1456 
Mitogen-activated protein kinase 9 (MAPK9) LDTP04076 1.10  LDD1456 
Mitogen-activated protein kinase kinase kinase 20 (MAP3K20) LDTP12837 1.11  LDD1456 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.18  LDD1456 
Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 1.45  LDD1456 
N-alpha-acetyltransferase 15, NatA auxiliary subunit (NAA15) LDTP11388 1.12  LDD1456 
Omega-amidase NIT2 (NIT2) LDTP12428 1.56  LDD1456 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 1.02  LDD1456 
Peroxiredoxin-4 (PRDX4) LDTP05773 1.20  LDD1456 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.06  LDD1456 
Persulfide dioxygenase ETHE1, mitochondrial (ETHE1) LDTP01633 1.06  LDD1456 
Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 1.53  LDD1456 
Prostaglandin E synthase 3 (PTGES3) LDTP06338 1.05  LDD1456 
Protein arginine N-methyltransferase 1 (PRMT1) LDTP10997 1.17  LDD1456 
Protein disulfide-isomerase A3 (PDIA3) LDTP03521 1.12  LDD1456 
Protein disulfide-isomerase A4 (PDIA4) LDTP02677 1.32  LDD1456 
Protein disulfide-isomerase A6 (PDIA6) LDTP06314 1.22  LDD1456 
Protein PML (PML) LDTP03496 1.05  LDD1456 
Protein-L-isoaspartate(D-aspartate) O-methyltransferase (PCMT1) LDTP03152 1.03  LDD1456 
Pyruvate carboxylase, mitochondrial (PC) LDTP02576 1.10  LDD1456 
Pyruvate kinase PKM (PKM) LDTP02733 1.40  LDD1456 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 1.37  LDD1456 
Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) LDTP06199 1.25  LDD1456 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 1.32  LDD1456 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 1.17  LDD1456 
Thioredoxin (TXN) LDTP02502 2.86  LDD1456 
Thymidine kinase, cytosolic (TK1) LDTP02022 1.18  LDD1456 
Transmembrane protease serine 12 (TMPRSS12) LDTP15306 1.11  LDD1456 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 1.10; 1.15  LDD1456 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 1.14; 1.10; 1.14  LDD1456 
Uridine phosphorylase 1 (UPP1) LDTP06643 1.04  LDD1456 
[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 1, mitochondrial (PDP1) LDTP12960 1.28  LDD1456 
------------------------------------------------------------------------------------
⏷ Show the Full List of 63 Enzyme
9 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP synthase subunit alpha, mitochondrial (ATP5F1A) LDTP03327 1.00  LDD1456 
Chloride intracellular channel protein 1 (CLIC1) LDTP00244 1.12  LDD1456 
Chloride intracellular channel protein 4 (CLIC4) LDTP14222 1.19  LDD1456 
Exportin-1 (XPO1) LDTP00501 1.06  LDD1456 
Exportin-2 (CSE1L) LDTP04662 1.03  LDD1456 
Gasdermin-D (GSDMD) LDTP04801 1.02  LDD1456 
Nuclear pore complex protein Nup93 (NUP93) LDTP08769 1.78  LDD1456 
Protein SEC13 homolog (SEC13) LDTP04707 1.02  LDD1456 
Thioredoxin domain-containing protein 17 (TXNDC17) LDTP11103 20.00  LDD1456 
------------------------------------------------------------------------------------
⏷ Show the Full List of 9 Transporter and channel
4 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 1.04  LDD1456 
eIF5-mimic protein 2 (BZW1) LDTP07940 1.18  LDD1456 
Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 1.15  LDD1456 
Recombining binding protein suppressor of hairless (RBPJ) LDTP05485 1.20  LDD1456 
------------------------------------------------------------------------------------
48 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Actin filament-associated protein 1 (AFAP1) LDTP08885 1.00  LDD1456 
Actin-related protein 3 (ACTR3) LDTP04902 1.01  LDD1456 
Alpha-actinin-1 (ACTN1) LDTP02631 1.26  LDD1456 
Calponin-2 (CNN2) LDTP10864 1.21; 1.14  LDD1456 
cAMP-dependent protein kinase type I-alpha regulatory subunit (PRKAR1A) LDTP02511 1.06  LDD1456 
Cleavage stimulation factor subunit 2 (CSTF2) LDTP03665 1.08  LDD1456 
Coronin-1C (CORO1C) LDTP13580 1.17  LDD1456 
Crk-like protein (CRKL) LDTP04092 1.40  LDD1456 
DNA mismatch repair protein Msh2 (MSH2) LDTP04028 1.18  LDD1456 
Enhancer of mRNA-decapping protein 3 (EDC3) LDTP10299 1.19  LDD1456 
Eukaryotic translation initiation factor 3 subunit M (EIF3M) LDTP07947 1.15  LDD1456 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 1.10  LDD1456 
Heat shock 70 kDa protein 4 (HSPA4) LDTP03695 2.12  LDD1456 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 1.06  LDD1456 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 1.13  LDD1456 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.04  LDD1456 
Hsp70-binding protein 1 (HSPBP1) LDTP12914 1.23  LDD1456 
Interferon-induced protein with tetratricopeptide repeats 3 (IFIT3) LDTP00463 1.12  LDD1456 
Kinetochore protein NDC80 homolog (NDC80) LDTP00431 1.06  LDD1456 
LanC-like protein 2 (LANCL2) LDTP12571 1.08  LDD1456 
Large ribosomal subunit protein eL24 (RPL24) LDTP05186 1.14; 1.12  LDD1456 
Large ribosomal subunit protein eL30 (RPL30) LDTP05021 0.96  LDD1456 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 1.09  LDD1456 
Neuroblast differentiation-associated protein AHNAK (AHNAK) LDTP05597 1.17  LDD1456 
Nuclear migration protein nudC (NUDC) LDTP13817 1.12  LDD1456 
NudC domain-containing protein 1 (NUDCD1) LDTP10781 0.97  LDD1456 
Plastin-3 (PLS3) LDTP02692 1.34  LDD1456 
Poly(rC)-binding protein 1 (PCBP1) LDTP06366 1.04; 1.27  LDD1456 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.27  LDD1456 
Protein lin-7 homolog C (LIN7C) LDTP12638 0.98  LDD1456 
Protein S100-A11 (S100A11) LDTP03620 1.14  LDD1456 
RAB7A-interacting MON1-CCZ1 complex subunit 1 (RIMOC1) LDTP14351 1.08  LDD1456 
Ras GTPase-activating-like protein IQGAP1 (IQGAP1) LDTP04117 1.05  LDD1456 
Reticulon-4 (RTN4) LDTP12412 1.06  LDD1456 
Small ribosomal subunit protein eS27 (RPS27) LDTP03987 0.96  LDD1456 
Small ribosomal subunit protein uS12 (RPS23) LDTP04971 1.10  LDD1456 
Small ribosomal subunit protein uS17 (RPS11) LDTP04975 1.14  LDD1456 
Small ribosomal subunit protein uS7 (RPS5) LDTP04110 1.21  LDD1456 
Stalled ribosome sensor GCN1 (GCN1) LDTP09821 1.28  LDD1456 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 1.16  LDD1456 
T-complex protein 1 subunit eta (CCT7) LDTP10990 1.09  LDD1456 
T-complex protein 1 subunit theta (CCT8) LDTP04390 1.06  LDD1456 
TBC1 domain family member 23 (TBC1D23) LDTP12651 1.05  LDD1456 
THUMP domain-containing protein 1 (THUMPD1) LDTP12780 1.12  LDD1456 
Trafficking protein particle complex subunit 4 (TRAPPC4) LDTP13837 1.09  LDD1456 
Tropomodulin-3 (TMOD3) LDTP18494 1.10  LDD1456 
Tubulin-specific chaperone D (TBCD) LDTP11212 1.13  LDD1456 
WD repeat domain phosphoinositide-interacting protein 3 (WDR45B) LDTP07037 1.05  LDD1456 
------------------------------------------------------------------------------------
⏷ Show the Full List of 48 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 Fragment54
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  LDD1456  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.