Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0617
Competitor Name
Fragment63-S
Synonyms
SCHEMBL18790577
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-[(3S)-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-/m0/s1
InChIKey
MRAMUVZVDBOPEH-QFIPXVFZSA-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

66 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon (AGPAT5) LDTP12639 5.94  LDD1490 
5'-nucleotidase domain-containing protein 1 (NT5DC1) LDTP17247 20.00  LDD1490 
ABC-type organic anion transporter ABCA8 (ABCA8) LDTP01459 20.00  LDD1491 
ADP-ribosylation factor-like protein 1 (ARL1) LDTP03900 20.00  LDD1490 
Alpha/beta hydrolase domain-containing protein 17B (ABHD17B) LDTP07208 20.00  LDD1490 
Antigen peptide transporter 1 (TAP1) LDTP05408 7.53  LDD1490 
Arsenite methyltransferase (AS3MT) LDTP12188 4.65  LDD1490 
Asparagine synthetase [glutamine-hydrolyzing] (ASNS) LDTP02264 20.00  LDD1490 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 20.00  LDD1490 
Caspase-8 (CASP8) LDTP06211 11.95  LDD1490 
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (PDE3B) LDTP05845 4.32  LDD1490 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 20.00  LDD1490 
Choline/ethanolaminephosphotransferase 1 (CEPT1) LDTP14264 20.00  LDD1490 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 20.00  LDD1490 
Creatine kinase B-type (CKB) LDTP02616 20.00  LDD1490 
Creatine kinase U-type, mitochondrial (CKMT1A; CKMT1B) LDTP02622 20.00  LDD1490 
Cytochrome b5 type B (CYB5B) LDTP00697 20.00  LDD1490 
DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 5.96  LDD1490 
DNA (cytosine-5)-methyltransferase 1 (DNMT1) LDTP03350 20.00  LDD1490 
DNA fragmentation factor subunit beta (DFFB) LDTP01394 20.00  LDD1490 
Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase (ALG6) LDTP14213 8.60  LDD1490 
E3 ISG15--protein ligase HERC5 (HERC5) LDTP13349 4.06  LDD1490 
E3 ubiquitin-protein ligase BRE1B (RNF40) LDTP01141 5.54  LDD1490 
Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 10.38  LDD1490 
Glutamine--tRNA ligase (QARS1) LDTP04135 4.67  LDD1490 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 20.00  LDD1490 
Glycerol-3-phosphate acyltransferase 4 (GPAT4) LDTP08232 20.00  LDD1490 
GPI ethanolamine phosphate transferase 3 (PIGO) LDTP09505 20.00  LDD1490 
GTPase IMAP family member 2 (GIMAP2) LDTP13219 5.00  LDD1490 
GTPase NRas (NRAS) LDTP01825 20.00  LDD1491 
Heme oxygenase 2 (HMOX2) LDTP03540 20.00  LDD1490 
Inactive hydroxysteroid dehydrogenase-like protein 1 (HSDL1) LDTP06787 6.03  LDD1490 
Methylated-DNA--protein-cysteine methyltransferase (MGMT) LDTP02852 8.23  LDD1490 
Methylthioribulose-1-phosphate dehydratase (APIP) LDTP10368 20.00  LDD1490 
Mitochondrial coenzyme A diphosphatase NUDT8 (NUDT8) LDTP09598 4.00  LDD1490 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 20.00  LDD1490 
Nuclear prelamin A recognition factor (NARF) LDTP13302 10.82  LDD1490 
Palmitoyltransferase ZDHHC17 (ZDHHC17) LDTP08456 20.00  LDD1490 
Palmitoyltransferase ZDHHC4 (ZDHHC4) LDTP12362 20.00  LDD1490 
Phosphatidylserine lipase ABHD16A (ABHD16A) LDTP01704 13.89  LDD1490 
Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4) LDTP03831 20.00  LDD1490 
Presequence protease, mitochondrial (PITRM1) LDTP07003 20.00  LDD1490 
Probable bifunctional dTTP/UTP pyrophosphatase/methyltransferase protein (ASMTL) LDTP01647 20.00  LDD1490 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 20.00  LDD1490 
Prostamide/prostaglandin F synthase (PRXL2B) LDTP09344 12.22  LDD1490 
Protein adenylyltransferase SelO, mitochondrial (SELENOO) LDTP11294 20.00  LDD1490 
Quinone oxidoreductase (CRYZ) LDTP05551 20.00  LDD1490 
Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 20.00  LDD1490 
Rho-related GTP-binding protein RhoC (RHOC) LDTP02248 20.00  LDD1490 
Ribonucleoside-diphosphate reductase subunit M2 (RRM2) LDTP03592 20.00  LDD1490 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 20.00  LDD1490 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 (ATP2A3) LDTP09976 20.00  LDD1490 
Secernin-2 (SCRN2) LDTP15725 20.00  LDD1490 
Secernin-3 (SCRN3) LDTP17022 20.00  LDD1490 
Selenide, water dikinase 2 (SEPHS2) LDTP10917 4.71  LDD1490 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 20.00  LDD1490 
Sphingolipid delta(4)-desaturase DES1 (DEGS1) LDTP00544 20.00  LDD1490 
Sterol carrier protein 2 (SCP2) LDTP03163 20.00  LDD1490 
Thioredoxin reductase 1, cytoplasmic (TXNRD1) LDTP06658 11.37  LDD1490 
Thioredoxin reductase-like selenoprotein T (SELENOT) LDTP04988 20.00  LDD1490 
Threonylcarbamoyladenosine tRNA methylthiotransferase (CDKAL1) LDTP07227 5.32  LDD1490 
Titin (TTN) LDTP09749 20.00  LDD1491 
Transforming protein RhoA (RHOA) LDTP04927 20.00  LDD1490 
tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase (FTSJ1) LDTP13200 4.24  LDD1490 
Ubiquitin carboxyl-terminal hydrolase 34 (USP34) LDTP07875 20.00  LDD1490 
Ubiquitin carboxyl-terminal hydrolase 8 (USP8) LDTP03904 20.00  LDD1490 
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⏷ Show the Full List of 66 Enzyme
12 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CD81 antigen (CD81) LDTP04849 20.00  LDD1490 
Ceroid-lipofuscinosis neuronal protein 6 (CLN6) LDTP12738 5.05  LDD1490 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 20.00  LDD1490 
Gasdermin-E (GSDME) LDTP00970 20.00  LDD1490 
Nucleoporin p54 (NUP54) LDTP08029 20.00  LDD1490 
PRA1 family protein 2 (PRAF2) LDTP01060 5.47  LDD1490 
Rapamycin-insensitive companion of mTOR (RICTOR) LDTP07626 20.00  LDD1490 
Secretory carrier-associated membrane protein 3 (SCAMP3) LDTP00451 20.00  LDD1490 
Store-operated calcium entry-associated regulatory factor (SARAF) LDTP10148 20.00  LDD1490 
Transferrin receptor protein 1 (TFRC) LDTP01969 20.00  LDD1490 
Transmembrane emp24 domain-containing protein 1 (TMED1) LDTP05875 20.00  LDD1490 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 5.62  LDD1490 
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⏷ Show the Full List of 12 Transporter and channel
1 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Tapasin (TAPBP) LDTP00671 12.32  LDD1490 
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30 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
AMMECR1-like protein (AMMECR1L) LDTP19476 20.00  LDD1490 
CD82 antigen (CD82) LDTP03399 20.00  LDD1490 
Coatomer subunit alpha (COPA) LDTP04571 20.00  LDD1490 
Coiled-coil domain-containing protein 97 (CCDC97) LDTP19860 20.00  LDD1490 
Cytochrome b-245 chaperone 1 (CYBC1) LDTP11068 20.00  LDD1491 
Girdin (CCDC88A) LDTP06804 20.00  LDD1490 
Glutathione S-transferase C-terminal domain-containing protein (GSTCD) LDTP17802 20.00  LDD1490 
Integrin beta-2 (ITGB2) LDTP02077 20.00  LDD1491 
Kelch-like ECH-associated protein 1 (KEAP1) LDTP06051 8.39  LDD1490 
Keratin, type I cytoskeletal 10 (KRT10) LDTP02674 10.01  LDD1491 
Keratin, type I cytoskeletal 16 (KRT16) LDTP02308 20.00  LDD1490 
Keratin, type II cytoskeletal 1 (KRT1) LDTP02031 20.00  LDD1491 
Mdm2-binding protein (MTBP) LDTP15714 11.90  LDD1490 
Multifunctional methyltransferase subunit TRM112-like protein (TRMT112) LDTP13323 5.13  LDD1490 
Oxysterol-binding protein-related protein 6 (OSBPL6) LDTP11533 8.06  LDD1490 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 20.00  LDD1491 
Protein FAM118B (FAM118B) LDTP15852 4.44  LDD1490 
Protein unc-45 homolog A (UNC45A) LDTP11890 20.00  LDD1491 
Receptor expression-enhancing protein 5 (REEP5) LDTP05257 17.38  LDD1490 
Reticulon-3 (RTN3) LDTP01522 20.00  LDD1490 
Reticulon-4 (RTN4) LDTP12412 11.94  LDD1490 
Retinoblastoma-like protein 2 (RBL2) LDTP05578 20.00  LDD1490 
RUS family member 1 (RUSF1) LDTP10357 20.00  LDD1490 
SCL-interrupting locus protein (STIL) LDTP06397 20.00  LDD1491 
Selenoprotein F (SELENOF) LDTP01012 16.42  LDD1490 
Selenoprotein S (SELENOS) LDTP11075 11.87  LDD1490 
Syntaxin-8 (STX8) LDTP13664 14.30  LDD1490 
TAF6-like RNA polymerase II p300/CBP-associated factor-associated factor 65 kDa subunit 6L (TAF6L) LDTP14263 20.00  LDD1490 
Vacuolar protein sorting-associated protein 18 homolog (VPS18) LDTP13019 20.00  LDD1490 
Vacuolar protein sorting-associated protein 51 homolog (VPS51) LDTP13338 20.00  LDD1490 
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⏷ Show the Full List of 30 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-S
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  LDD1490  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name Fragment63-S
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  LDD1491  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.