Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0615
Competitor Name
Fragment63-R
Synonyms
SCHEMBL18790578; PD128010; 1956368-39-0
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 441.9
Lipid-water partition coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H28ClN3O3
IUPAC Name
2-chloro-N-[(3R)-1-(4-morpholin-4-ylbenzoyl)piperidin-3-yl]-N-phenylacetamide
Canonical SMILES
C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C4=CC=CC=C4)C(=O)CCl
InChI
InChI=1S/C24H28ClN3O3/c25-17-23(29)28(21-5-2-1-3-6-21)22-7-4-12-27(18-22)24(30)19-8-10-20(11-9-19)26-13-15-31-16-14-26/h1-3,5-6,8-11,22H,4,7,12-18H2/t22-/m1/s1
InChIKey
MRAMUVZVDBOPEH-JOCHJYFZSA-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
Johansson_61
 Probe Info  		10 uM Human T acute lymphoblastic leukemia cell lysate (Jurkat) [1]

Target(s) List of this Competitor

70 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (HPGD) LDTP02788 20.00  LDD1487 
3'-5' exoribonuclease 1 (ERI1) LDTP08482 20.00  LDD1487 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 20.00  LDD1487 
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 8.16  LDD1487 
Alpha/beta hydrolase domain-containing protein 17B (ABHD17B) LDTP07208 4.04  LDD1487 
Androgen-induced gene 1 protein (AIG1) LDTP12697 12.99  LDD1487 
Asparagine synthetase [glutamine-hydrolyzing] (ASNS) LDTP02264 20.00  LDD1487 
ATP synthase membrane subunit K, mitochondrial (ATP5MK) LDTP10432 11.13  LDD1487 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 20.00  LDD1487 
Caspase-8 (CASP8) LDTP06211 15.23  LDD1487 
Chitinase-3-like protein 2 (CHI3L2) LDTP06471 20.00  LDD1487 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 20.00  LDD1487 
Choline/ethanolaminephosphotransferase 1 (CEPT1) LDTP14264 20.00  LDD1487 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 5.57  LDD1487 
Creatine kinase B-type (CKB) LDTP02616 20.00  LDD1487 
Creatine kinase U-type, mitochondrial (CKMT1A; CKMT1B) LDTP02622 20.00  LDD1487 
Cytochrome b5 type B (CYB5B) LDTP00697 14.04  LDD1487 
Cytosolic iron-sulfur assembly component 3 (CIAO3) LDTP11990 4.66  LDD1487 
DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 8.63  LDD1487 
DNA fragmentation factor subunit beta (DFFB) LDTP01394 18.85  LDD1487 
DNA-directed RNA polymerase II subunit RPB1 (POLR2A) LDTP03298 10.27  LDD1487 
Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (ALG3) LDTP09841 20.00  LDD1487 
Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase (ALG6) LDTP14213 9.54  LDD1487 
E3 ubiquitin-protein ligase RNF139 (RNF139) LDTP09556 20.00  LDD1487 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 4.79  LDD1487 
GDP-Man:Man(3)GlcNAc(2)-PP-Dol alpha-1,2-mannosyltransferase (ALG11) LDTP06721 16.85  LDD1487 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1487 
Glycerol-3-phosphate acyltransferase 4 (GPAT4) LDTP08232 20.00  LDD1487 
GPI ethanolamine phosphate transferase 3 (PIGO) LDTP09505 20.00  LDD1487 
GTP-binding protein 4 (GTPBP4) LDTP11529 20.00  LDD1488 
Heme oxygenase 2 (HMOX2) LDTP03540 14.12  LDD1487 
Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial (ALDH6A1) LDTP05346 4.80  LDD1487 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 7.00  LDD1487 
NADH-ubiquinone oxidoreductase chain 5 (MT-ND5) LDTP01986 20.00  LDD1487 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 20.00  LDD1487 
Nuclear prelamin A recognition factor (NARF) LDTP13302 5.30  LDD1487 
Peptidyl-tRNA hydrolase (PTRH1) LDTP17604 4.07  LDD1488 
Phosphatidate cytidylyltransferase 2 (CDS2) LDTP01649 9.26  LDD1487 
Phosphatidylinositol 4-kinase beta (PI4KB) LDTP13112 10.42  LDD1488 
Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4) LDTP03831 20.00  LDD1487 
Polyprenol reductase (SRD5A3) LDTP12064 20.00  LDD1487 
Probable ATP-dependent RNA helicase DDX20 (DDX20) LDTP13285 7.16  LDD1488 
Probable ATP-dependent RNA helicase DDX46 (DDX46) LDTP07932 10.28  LDD1487 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 20.00  LDD1487 
Prostamide/prostaglandin F synthase (PRXL2B) LDTP09344 11.26  LDD1487 
Protein adenylyltransferase SelO, mitochondrial (SELENOO) LDTP11294 9.63  LDD1487 
Pyridoxine-5'-phosphate oxidase (PNPO) LDTP12691 20.00  LDD1488 
Pyruvate dehydrogenase E1 component subunit beta, mitochondrial (PDHB) LDTP02549 20.00  LDD1488 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 10.81  LDD1487 
Rho family-interacting cell polarization regulator 1 (RIPOR1) LDTP07819 4.25  LDD1487 
Ribonuclease H2 subunit A (RNASEH2A) LDTP01311 7.07  LDD1488 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 4.37  LDD1487 
rRNA methyltransferase 2, mitochondrial (MRM2) LDTP13330 20.00  LDD1488 
rRNA methyltransferase 3, mitochondrial (MRM3) LDTP12215 20.00  LDD1488 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 9.47  LDD1487 
Secernin-2 (SCRN2) LDTP15725 7.69  LDD1488 
Secernin-3 (SCRN3) LDTP17022 20.00  LDD1487 
Selenide, water dikinase 2 (SEPHS2) LDTP10917 4.96  LDD1487 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 20.00  LDD1487 
Squalene monooxygenase (SQLE) LDTP06142 4.18  LDD1487 
Sterol carrier protein 2 (SCP2) LDTP03163 16.55  LDD1487 
Terminal nucleotidyltransferase 5C (TENT5C) LDTP07242 10.30  LDD1488 
Thioredoxin reductase 1, cytoplasmic (TXNRD1) LDTP06658 14.22  LDD1487 
Thioredoxin reductase-like selenoprotein T (SELENOT) LDTP04988 20.00  LDD1487 
Threonylcarbamoyladenosine tRNA methylthiotransferase (CDKAL1) LDTP07227 4.35  LDD1487 
Thymidylate kinase (DTYMK) LDTP03258 20.00  LDD1487 
tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase (FTSJ1) LDTP13200 20.00  LDD1487 
Ubiquitin carboxyl-terminal hydrolase 34 (USP34) LDTP07875 4.04  LDD1487 
Xaa-Pro aminopeptidase 1 (XPNPEP1) LDTP12444 10.34  LDD1488 
Xyloside xylosyltransferase 1 (XXYLT1) LDTP09053 8.68  LDD1487 
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⏷ Show the Full List of 70 Enzyme
13 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP-binding cassette sub-family F member 1 (ABCF1) LDTP09149 20.00  LDD1487 
Ceroid-lipofuscinosis neuronal protein 6 (CLN6) LDTP12738 4.82  LDD1487 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 20.00  LDD1487 
Gasdermin-E (GSDME) LDTP00970 15.87  LDD1487 
Metal cation symporter ZIP14 (SLC39A14) LDTP06293 7.16  LDD1487 
Nuclear pore complex protein Nup133 (NUP133) LDTP09579 10.28  LDD1488 
Nucleoporin NUP188 (NUP188) LDTP07064 20.00  LDD1488 
Nucleoporin p54 (NUP54) LDTP08029 19.98  LDD1487 
Protein RFT1 homolog (RFT1) LDTP10073 16.16  LDD1487 
Sodium-dependent multivitamin transporter (SLC5A6) LDTP13834 20.00  LDD1487 
Store-operated calcium entry-associated regulatory factor (SARAF) LDTP10148 5.15  LDD1487 
SUN domain-containing protein 1 (SUN1) LDTP01454 20.00  LDD1487 
Transmembrane protein 187 (TMEM187) LDTP06170 20.00  LDD1487 
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⏷ Show the Full List of 13 Transporter and channel
1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Transcription factor Dp-1 (TFDP1) LDTP06073 10.18  LDD1488 
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39 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AMMECR1-like protein (AMMECR1L) LDTP19476 14.59  LDD1487 
BTB/POZ domain-containing protein KCTD3 (KCTD3) LDTP16289 20.00  LDD1487 
Calcineurin B homologous protein 3 (TESC) LDTP10140 13.53  LDD1487 
Calcineurin-binding protein cabin-1 (CABIN1) LDTP14260 4.20  LDD1487 
CD82 antigen (CD82) LDTP03399 19.39  LDD1487 
Coiled-coil domain-containing protein 97 (CCDC97) LDTP19860 4.62  LDD1487 
Conserved oligomeric Golgi complex subunit 1 (COG1) LDTP09549 4.36  LDD1487 
Cytochrome b-245 chaperone 1 (CYBC1) LDTP11068 20.00  LDD1488 
DDB1- and CUL4-associated factor 10 (DCAF10) LDTP07050 20.00  LDD1487 
DENN domain-containing protein 2D (DENND2D) LDTP18400 20.00  LDD1487 
DNA fragmentation factor subunit alpha (DFFA) LDTP00239 4.58  LDD1487 
Girdin (CCDC88A) LDTP06804 20.00  LDD1487 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 20.00  LDD1487 
Golgin subfamily A member 3 (GOLGA3) LDTP05556 20.00  LDD1488 
Hemoglobin subunit theta-1 (HBQ1) LDTP14591 20.00  LDD1487 
Keratin, type I cytoskeletal 10 (KRT10) LDTP02674 20.00  LDD1487 
Multifunctional methyltransferase subunit TRM112-like protein (TRMT112) LDTP13323 6.24  LDD1487 
Multivesicular body subunit 12A (MVB12A) LDTP10284 20.00  LDD1488 
Peroxiredoxin-like 2A (PRXL2A) LDTP11140 15.97  LDD1487 
Protein FAM118B (FAM118B) LDTP15852 4.57  LDD1487 
Protein MMS22-like (MMS22L) LDTP07814 5.86  LDD1487 
Protein unc-45 homolog A (UNC45A) LDTP11890 10.31  LDD1488 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 9.78  LDD1487 
Reticulon-3 (RTN3) LDTP01522 13.45  LDD1487 
Retinoblastoma-like protein 2 (RBL2) LDTP05578 5.92  LDD1487 
RUS family member 1 (RUSF1) LDTP10357 8.31  LDD1487 
Selenoprotein F (SELENOF) LDTP01012 9.54  LDD1487 
Selenoprotein H (SELENOH) LDTP19672 20.00  LDD1487 
Selenoprotein K (SELENOK) LDTP14236 20.00  LDD1487 
Selenoprotein S (SELENOS) LDTP11075 12.72  LDD1487 
Stress-70 protein, mitochondrial (HSPA9) LDTP03860 10.37  LDD1488 
Syntaxin-8 (STX8) LDTP13664 13.09  LDD1487 
Target of rapamycin complex subunit LST8 (MLST8) LDTP11280 7.37  LDD1487 
TBC1 domain family member 31 (TBC1D31) LDTP10221 5.02  LDD1487 
Transcription elongation regulator 1 (TCERG1) LDTP00430 11.17  LDD1487 
Trinucleotide repeat-containing gene 6B protein (TNRC6B) LDTP13710 10.29  LDD1487 
UPF0729 protein C18orf32 (C18orf32) LDTP15599 14.99  LDD1487 
Vacuolar protein sorting-associated protein 51 homolog (VPS51) LDTP13338 5.12  LDD1487 
Zinc finger CCCH domain-containing protein 7B (ZC3H7B) LDTP13245 10.30  LDD1487 
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⏷ Show the Full List of 39 Other

Full Information of The Labelling Profiles of This Competitor

Johansson_61
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name Fragment63-R
Competitor Concentration 30 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Bone marrow
Disease Model T acute lymphoblastic leukemia [ICD-11:2A90]
Model Name Human T acute lymphoblastic leukemia cell lysate (Jurkat)
Interaction Atlas ID  LDD1487  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name Fragment63-R
Competitor Concentration 7.5 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Bone marrow
Disease Model T acute lymphoblastic leukemia [ICD-11:2A90]
Model Name Human T acute lymphoblastic leukemia cell lysate (Jurkat)
Interaction Atlas ID  LDD1488  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.