Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0003
Competitor Name
Sulforaphane
Synonyms
sulforaphane; 4478-93-7; DL-Sulforaphane; 1-Isothiocyanato-4-(methylsulfinyl)butane; D,L-Sulforaphane; Sulforafan; 1-Isothiocyanato-4-(methylsulfinyl)-butane; 1-isothiocyanato-4-methylsulfinylbutane; Butane, 1-isothiocyanato-4-(methylsulfinyl)-; 4-Methylsulfinylbutyl isothiocyanate; (+/-)-sulforaphane; CHEBI:47807; 41684WL1GL; Butane, 1-isothiocyanato-4-[(S)-methylsulfinyl]-; 4-(Methylsulfinyl)Butyl Isothiocyanate; NSC-749790; sulforaphane, (R)-; (S)-1-Isothiocyanato-4-(methylsulfinyl)butane; R,S-Sulforaphane; SFN; Sulphoraphane; CCRIS 7221; Sulforathane; UNII-41684WL1GL; S)-Sulforaphane; Sulforaphane Racemate; CHEMBL48802; SCHEMBL105202; GTPL6569; DTXSID8036732; SULFORAPHANE, (+/-)-; HMS3746M17; BCP31547; 4-Methylsulfinyl butyl isothiocyanate; BDBM50073654; MFCD00198068; MFCD09039283; NSC749790; s5771; 4-isothiocyanatobutyl methyl sulfoxide; AKOS006282481; CS-7809; NSC 749790; 4-(Methylsulfinyl)-butyl isothiocyanate; SULFORAPHANE (+/-)-FORM [MI]; 1-isothiocyanato-4-methylsulfinyl-butane; AC-34421; HY-13755; 1-Isothiocyanato-4-(methylsulfinyl)butane #; U0142; F17072; A912495; Q424489; DL-Sulforaphane, >=90% (HPLC), synthetic, liquid; Q-100160; BRD-A58955223-001-02-0; ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)BUTYL ESTER; Z1198151975; (R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 177.3
Lipid-water partition coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H11NOS2
IUPAC Name
1-isothiocyanato-4-methylsulfinylbutane
Canonical SMILES
CS(=O)CCCCN=C=S
InChI
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
InChIKey
SUVMJBTUFCVSAD-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
Sulforaphane-probe2
 Probe Info  		5 uM Human invasive breast carcinoma cells (MCF-7) [1]

Target(s) List of this Competitor

63 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (PLCG1) LDTP02984 1.92  LDD0160 
17-beta-hydroxysteroid dehydrogenase type 1 (HSD17B1) LDTP02708 2.30  LDD0042 
26S proteasome non-ATPase regulatory subunit 9 (PSMD9) LDTP00225 4.42  LDD0042 
4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1) LDTP04232 6.30  LDD0042 
6-phosphogluconolactonase (PGLS) LDTP14535 3.56  LDD0042 
ADP-ribosylation factor-like protein 1 (ARL1) LDTP03900 1.44  LDD0160 
Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 3.62  LDD0160 
Aminopeptidase B (RNPEP) LDTP15993 1.69  LDD0160 
Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 1.30  LDD0160 
Cathepsin Z (CTSZ) LDTP13147 2.18  LDD0160 
Cleavage and polyadenylation specificity factor subunit 3 (CPSF3) LDTP13449 1.38  LDD0160 
Cyclin-dependent kinase 3 (CDK3) LDTP05242 1.95  LDD0160 
Cyclin-G-associated kinase (GAK) LDTP00497 3.04  LDD0042 
Cysteine--tRNA ligase, cytoplasmic (CARS1) LDTP04263 1.72  LDD0160 
Cytoplasmic aconitate hydratase (ACO1) LDTP03110 1.73  LDD0160 
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial (DLAT) LDTP02497 1.73  LDD0160 
DNA dC->dU-editing enzyme APOBEC-3C (APOBEC3C) LDTP12539 5.13  LDD0160 
DNA-dependent protein kinase catalytic subunit (PRKDC) LDTP05136 2.22  LDD0042 
DNA-directed RNA polymerase, mitochondrial (POLRMT) LDTP00267 2.60  LDD0160 
E3 ubiquitin/ISG15 ligase TRIM25 (TRIM25) LDTP06098 2.14  LDD0042 
Epidermal growth factor receptor (EGFR) LDTP01785 1.56  LDD0160 
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A (GSPT1) LDTP02770 2.34  LDD0042 
Exosome complex component MTR3 (EXOSC6) LDTP07054 2.36  LDD0160 
Fibronectin type III domain-containing protein 3B (FNDC3B) LDTP06883 1.60  LDD0160 
Glycine--tRNA ligase (GARS1) LDTP03946 2.06  LDD0042 
Heme oxygenase 2 (HMOX2) LDTP03540 2.04  LDD0160 
Histone acetyltransferase type B catalytic subunit (HAT1) LDTP00479 1.99  LDD0160 
Histone-arginine methyltransferase CARM1 (CARM1) LDTP08352 2.52  LDD0160 
Holocytochrome c-type synthase (HCCS) LDTP04581 2.00  LDD0160 
Inositol polyphosphate 4-phosphatase type II (INPP4B) LDTP00609 2.90  LDD0042 
Interleukin-1 receptor-associated kinase 1 (IRAK1) LDTP04435 2.80  LDD0042 
Kinesin-like protein KIF2C (KIF2C) LDTP10935 2.01  LDD0160 
Large ribosomal subunit protein mL39 (MRPL39) LDTP12835 2.22  LDD0160 
Macrophage migration inhibitory factor (MIF) LDTP02713 2.64  LDD0160 
Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial (ALDH6A1) LDTP05346 3.50  LDD0042 
Mitochondrial-processing peptidase subunit beta (PMPCB) LDTP01220 2.14  LDD0042 
Monofunctional C1-tetrahydrofolate synthase, mitochondrial (MTHFD1L) LDTP07651 1.62  LDD0160 
NAD kinase 2, mitochondrial (NADK2) LDTP06839 1.57  LDD0160 
NADH dehydrogenase iron-sulfur protein 3, mitochondrial (NDUFS3) LDTP01238 2.03  LDD0160 
Patatin-like phospholipase domain-containing protein 6 (PNPLA6) LDTP08617 0.94  LDD0160 
Phosphoribosylformylglycinamidine synthase (PFAS) LDTP00527 2.12  LDD0042 
Probable bifunctional dTTP/UTP pyrophosphatase/methyltransferase protein (ASMTL) LDTP01647 3.22  LDD0042 
Prolyl endopeptidase (PREP) LDTP04163 1.93  LDD0160 
Protein PML (PML) LDTP03496 2.48  LDD0160 
Rho-associated protein kinase 1 (ROCK1) LDTP05881 1.88  LDD0160 
Ribonucleoside-diphosphate reductase large subunit (RRM1) LDTP03259 1.69  LDD0160 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 1.78  LDD0160 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 2.33  LDD0160 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 2.26  LDD0160 
Serine palmitoyltransferase 2 (SPTLC2) LDTP00598 2.42  LDD0042 
Serine/threonine-protein kinase 24 (STK24) LDTP14240 2.97  LDD0160 
Serine/threonine-protein kinase 4 (STK4) LDTP05733 3.71  LDD0160 
Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform (PPP2R2A) LDTP05046 2.32  LDD0160 
Serine/threonine-protein phosphatase CPPED1 (CPPED1) LDTP11107 3.08  LDD0160 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 2.94  LDD0042 
Sphingolipid delta(4)-desaturase DES1 (DEGS1) LDTP00544 2.61  LDD0160 
Tensin-3 (TNS3) LDTP07317 2.35  LDD0160 
Threonine synthase-like 1 (THNSL1) LDTP19669 1.75  LDD0160 
Tyrosine-protein phosphatase non-receptor type 1 (PTPN1) LDTP02935 1.51  LDD0160 
Tyrosine-protein phosphatase non-receptor type 11 (PTPN11) LDTP05475 1.83  LDD0160 
Ubiquitin carboxyl-terminal hydrolase 10 (USP10) LDTP06190 2.14  LDD0160 
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (OGT) LDTP00601 1.39  LDD0160 
V-type proton ATPase catalytic subunit A (ATP6V1A) LDTP03859 2.21  LDD0160 
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⏷ Show the Full List of 63 Enzyme
13 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 2.54  LDD0042 
Extended synaptotagmin-1 (ESYT1) LDTP11161 1.36  LDD0160 
Gasdermin-D (GSDMD) LDTP04801 2.90  LDD0160 
Gasdermin-E (GSDME) LDTP00970 3.05  LDD0160 
Importin-5 (IPO5) LDTP00266 2.04  LDD0042 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 1.63  LDD0160 
Nucleoporin p54 (NUP54) LDTP08029 2.20  LDD0160 
Ran-binding protein 6 (RANBP6) LDTP16811 4.22  LDD0042 
Reticulon-1 (RTN1) LDTP06633 1.58  LDD0160 
TBC1 domain family member 4 (TBC1D4) LDTP00958 1.84  LDD0160 
Translocation protein SEC63 homolog (SEC63) LDTP13243 2.04  LDD0160 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.26  LDD0042 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 2.34  LDD0160 
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⏷ Show the Full List of 13 Transporter and channel
9 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CDKN2A-interacting protein (CDKN2AIP) LDTP12792 1.50  LDD0160 
COUP transcription factor 2 (NR2F2) LDTP03280 1.66  LDD0160 
Glucocorticoid receptor (NR3C1) LDTP02016 1.97  LDD0160 
Metastasis-associated protein MTA2 (MTA2) LDTP01414 2.28  LDD0042 
Nuclear factor NF-kappa-B p100 subunit (NFKB2) LDTP05254 2.17  LDD0160 
Signal transducer and activator of transcription 1-alpha/beta (STAT1) LDTP03969 3.16  LDD0042 
Signal transducer and activator of transcription 3 (STAT3) LDTP03903 3.08  LDD0042 
Transcription factor p65 (RELA) LDTP05417 1.82  LDD0160 
Zinc finger protein 217 (ZNF217) LDTP01191 2.92  LDD0042 
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⏷ Show the Full List of 9 Transcription factor
1 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Palladin (PALLD) LDTP09680 1.14  LDD0160 
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70 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
182 kDa tankyrase-1-binding protein (TNKS1BP1) LDTP11597 1.81  LDD0160 
A-kinase anchor protein 1, mitochondrial (AKAP1) LDTP09837 1.64  LDD0160 
A-kinase anchor protein 8-like (AKAP8L) LDTP13591 1.75  LDD0160 
AH receptor-interacting protein (AIP) LDTP00202 3.36  LDD0042 
Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (AIMP2) LDTP05770 1.40  LDD0160 
Anillin (ANLN) LDTP12443 2.22  LDD0160 
Ankyrin repeat and KH domain-containing protein 1 (ANKHD1) LDTP08573 2.28  LDD0042 
BAG family molecular chaperone regulator 3 (BAG3) LDTP01684 2.74  LDD0042 
BH3-interacting domain death agonist (BID) LDTP04722 3.04  LDD0042 
Biorientation of chromosomes in cell division protein 1-like 1 (BOD1L1) LDTP09196 2.00  LDD0160 
Calpastatin (CAST) LDTP03079 1.74  LDD0160 
Condensin complex subunit 1 (NCAPD2) LDTP06281 3.60  LDD0042 
Condensin complex subunit 2 (NCAPH) LDTP06268 2.02  LDD0160 
Constitutive coactivator of PPAR-gamma-like protein 1 (FAM120A) LDTP12883 1.82  LDD0160 
Crk-like protein (CRKL) LDTP04092 3.20  LDD0042 
Cytoplasmic dynein 1 light intermediate chain 1 (DYNC1LI1) LDTP14250 1.26  LDD0160 
Disks large-associated protein 5 (DLGAP5) LDTP06378 2.08  LDD0160 
DNA fragmentation factor subunit alpha (DFFA) LDTP00239 4.38  LDD0042 
Dynamin-binding protein (DNMBP) LDTP07755 1.87  LDD0160 
Dynein light chain 1, cytoplasmic (DYNLL1) LDTP05049 1.66  LDD0160 
Early endosome antigen 1 (EEA1) LDTP06310 2.70  LDD0042 
Eukaryotic translation initiation factor 6 (EIF6) LDTP04743 1.87  LDD0160 
F-actin-capping protein subunit beta (CAPZB) LDTP04127 1.50  LDD0160 
Golgin subfamily A member 2 (GOLGA2) LDTP05557 1.96  LDD0160 
Hepatoma-derived growth factor (HDGF) LDTP04483 3.16  LDD0042 
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 2.68  LDD0042 
Heterogeneous nuclear ribonucleoprotein U (HNRNPU) LDTP05259 2.16  LDD0042 
Host cell factor 1 (HCFC1) LDTP04434 1.98  LDD0160 
Kelch-like ECH-associated protein 1 (KEAP1) LDTP06051 5.88  LDD0160 
Kinesin light chain 1 (KLC1) LDTP05533 1.63  LDD0160 
La-related protein 1 (LARP1) LDTP07605 2.06  LDD0042 
La-related protein 4 (LARP4) LDTP07903 2.02  LDD0042 
Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 2.80  LDD0042 
Leucine zipper protein 1 (LUZP1) LDTP08273 2.40  LDD0160 
Leukocyte elastase inhibitor (SERPINB1) LDTP03557 1.71  LDD0160 
MAP7 domain-containing protein 3 (MAP7D3) LDTP08535 1.61  LDD0160 
Microtubule cross-linking factor 1 (MTCL1) LDTP14037 1.97  LDD0160 
Mini-chromosome maintenance complex-binding protein (MCMBP) LDTP11197 2.33  LDD0160 
MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 1.85  LDD0160 
Opioid growth factor receptor (OGFR) LDTP16155 2.19  LDD0160 
Oxysterol-binding protein-related protein 3 (OSBPL3) LDTP11930 1.05  LDD0160 
Paxillin (PXN) LDTP04226 1.83  LDD0160 
Perilipin-3 (PLIN3) LDTP01021 3.44  LDD0042 
Peroxisomal membrane protein 11B (PEX11B) LDTP01750 3.00  LDD0042 
PHD finger protein 3 (PHF3) LDTP18116 2.11  LDD0160 
Poly(rC)-binding protein 2 (PCBP2) LDTP06367 2.22  LDD0042 
Proliferation marker protein Ki-67 (MKI67) LDTP04078 2.47  LDD0160 
Proteasome activator complex subunit 2 (PSME2) LDTP13519 1.80  LDD0160 
Protein CIP2A (CIP2A) LDTP09383 1.85  LDD0160 
Protein HGH1 homolog (HGH1) LDTP18309 2.74  LDD0160 
Protein SGT1 homolog (SUGT1) LDTP13935 2.50  LDD0160 
Protein transport protein Sec16A (SEC16A) LDTP00512 1.94  LDD0160 
Protein transport protein Sec24C (SEC24C) LDTP04594 2.66  LDD0042 
Raftlin (RFTN1) LDTP06193 2.01  LDD0160 
Reticulon-3 (RTN3) LDTP01522 3.00  LDD0042 
Rho GTPase-activating protein 29 (ARHGAP29) LDTP06880 2.13  LDD0160 
RNA-binding protein FXR1 (FXR1) LDTP04395 2.45  LDD0160 
RNA-binding protein FXR2 (FXR2) LDTP04396 4.14  LDD0042 
RUN and FYVE domain-containing protein 1 (RUFY1) LDTP10834 1.95  LDD0160 
Shootin-1 (SHTN1) LDTP00019 2.74  LDD0042 
Spartin (SPART) LDTP08735 1.89  LDD0160 
SPATS2-like protein (SPATS2L) LDTP16102 1.98  LDD0160 
Structural maintenance of chromosomes protein 2 (SMC2) LDTP01567 3.24  LDD0042 
Targeting protein for Xklp2 (TPX2) LDTP13583 2.17  LDD0160 
TBC1 domain family member 13 (TBC1D13) LDTP16107 1.77  LDD0160 
TBC1 domain family member 15 (TBC1D15) LDTP09363 2.82  LDD0042 
Thyroid receptor-interacting protein 6 (TRIP6) LDTP06439 2.92  LDD0042 
Transcriptional coactivator YAP1 (YAP1) LDTP04115 1.64  LDD0160 
Transforming acidic coiled-coil-containing protein 1 (TACC1) LDTP01210 1.75  LDD0160 
Zinc finger protein 185 (ZNF185) LDTP00580 2.27  LDD0160 
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⏷ Show the Full List of 70 Other

Full Information of The Labelling Profiles of This Competitor

Sulforaphane-probe2
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 5 uM
Quantitative Method SILAC
Competitor Name Sulforaphane
Competitor Concentration 100 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Breast
Disease Model Invasive breast carcinoma [ICD-11:2C60]
Model Name Human invasive breast carcinoma cells (MCF-7)
Interaction Atlas ID  LDD0042  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 5 uM
Quantitative Method SILAC
Competitor Name Sulforaphane
Competitor Concentration 100 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Breast
Disease Model Breast adenocarcinoma [ICD-11:2C60]
Model Name Human breast adenocarcinoma cells (MDA-MB-231)
Interaction Atlas ID  LDD0160  Download The Altas

References

1 Competition-based, quantitative chemical proteomics in breast cancer cells identifies new target profiles for sulforaphane. Chem Commun (Camb). 2017 May 4;53(37):5182-5185. doi: 10.1039/c6cc08797c.
Mass spectrometry data entry: PXD006279