Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0084
Competitor Name
Ro 48-8071
Synonyms
Ro 48-8071; 161582-11-2; [4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone; Ro-48-8071; Ro48-8071; YDR69X9Q9M; R048-8071; (4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone; CHEMBL304858; (4-BROMOPHENYL)[3-FLUORO-4-[[6-(METHYL-2-PROPENYLAMINO)HEXYL]OXY]PHENYL]-METHANONE; 1gsz; (4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone; (4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-(4-bromo-phenyl)-methanone; [4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl]-(4-bromo-phenyl)-methanone; {4-[6-(Allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl}-(4-bromo-phenyl)-methanone; compound 2 [PMID: 22533316]; Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-,(2E)-2-butenedioate; UNII-YDR69X9Q9M; (4'-(6-Allylmethylaminohexyloxy)-2'-fluorophenyl)-4-(4-bromophenyl)methanone fumarate; GTPL6710; SCHEMBL3674881; DTXSID90870077; CHEBI:101064; CMYCCJYVZIMDFU-UHFFFAOYSA-N; HMS3649J22; HMS3743C21; BCP30557; BDBM50128065; AKOS025294639; CS-3518; DB02016; NCGC00165878-01; NCGC00165878-02; HY-18630; NS00018037; SR-01000946731; J-009841; SR-01000946731-1; Q27088590; N-allyl-6-(4-(4-bromobenzoyl)-3-fluorophenoxy)-N-methylhexan-1-aminium; (4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanone; (4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]methanone; [4-[6-[allyl(methyl)amino]hexoxy]-2-fluoro-phenyl]-(4-bromophenyl)methanone; Methanone, (4-bromophenyl)(2-fluoro-4-((6-(methyl-2-propenylamino)hexyl)oxy)phenyl)-; Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-; Ro 488071; Ro488071; Ro-488071; Ro 488071; Ro-488071
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 448.4
Lipid-water partition coefficient (xlogp) 6.1
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H27BrFNO2
IUPAC Name
(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone
Canonical SMILES
CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C
InChI
InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
InChIKey
CMYCCJYVZIMDFU-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
A-DA
 Probe Info  		5 uM Human lung adenocarcinoma cells (A-549) [1]

Target(s) List of this Competitor

74 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
1-acylglycerol-3-phosphate O-acyltransferase ABHD5 (ABHD5) LDTP09542 7.03  LDD0145 
2-hydroxyacyl-CoA lyase 2 (ILVBL) LDTP00032 2.08  LDD0145 
2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial (COQ5) LDTP06988 3.43  LDD0145 
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) LDTP06325 16.03  LDD0144 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 12.90  LDD0145 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 8.84  LDD0145 
ADP-dependent glucokinase (ADPGK) LDTP11127 2.09  LDD0145 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 2.48  LDD0145 
Aldehyde dehydrogenase family 3 member B1 (ALDH3B1) LDTP04036 2.11  LDD0145 
Alkyldihydroxyacetonephosphate synthase, peroxisomal (AGPS) LDTP00186 2.31  LDD0145 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 2.23  LDD0145 
Catechol O-methyltransferase (COMT) LDTP03145 2.23  LDD0145 
Cathepsin D (CTSD) LDTP02198 2.05  LDD0145 
Ceramide glucosyltransferase (UGCG) LDTP06617 2.88  LDD0145 
Ceramide synthase 2 (CERS2) LDTP10329 2.52  LDD0145 
Ceramide synthase 6 (CERS6) LDTP07766 2.72  LDD0144 
Chitobiosyldiphosphodolichol beta-mannosyltransferase (ALG1) LDTP11178 2.20  LDD0145 
Choline/ethanolaminephosphotransferase 1 (CEPT1) LDTP14264 2.51  LDD0145 
Cytochrome b5 type B (CYB5B) LDTP00697 4.22  LDD0145 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 12.15  LDD0145 
Dehydrogenase/reductase SDR family member on chromosome X (DHRSX) LDTP08900 2.73  LDD0145 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 2.30  LDD0144 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 5.13  LDD0145 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A (STT3A) LDTP04120 2.01  LDD0145 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 3.19  LDD0145 
Estradiol 17-beta-dehydrogenase 11 (HSD17B11) LDTP09063 3.49  LDD0145 
Fatty acid 2-hydroxylase (FA2H) LDTP07963 20.00  LDD0145 
Fatty acid CoA ligase Acsl3 (ACSL3) LDTP01634 2.31  LDD0145 
Ferroptosis suppressor protein 1 (AIFM2) LDTP11124 2.20  LDD0144 
Glycerol-3-phosphate acyltransferase 3 (GPAT3) LDTP06885 2.93  LDD0145 
Glycerol-3-phosphate acyltransferase 4 (GPAT4) LDTP08232 2.35  LDD0145 
GPI ethanolamine phosphate transferase 3 (PIGO) LDTP09505 2.28  LDD0145 
GTP-binding protein SAR1a (SAR1A) LDTP12470 2.13  LDD0145 
GTP-binding protein SAR1b (SAR1B) LDTP14231 2.39  LDD0145 
Heme oxygenase 2 (HMOX2) LDTP03540 3.42  LDD0145 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 2.01  LDD0145 
Lanosterol synthase (LSS) LDTP04183 20.00  LDD0144 
Lipid droplet-associated hydrolase (LDAH) LDTP16007 4.63  LDD0145 
Lysophosphatidylcholine acyltransferase 1 (LPCAT1) LDTP09188 3.06  LDD0145 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 2.71  LDD0145 
Lysophospholipid acyltransferase 7 (MBOAT7) LDTP10612 2.09  LDD0145 
Mannosyl-oligosaccharide glucosidase (MOGS) LDTP05971 2.52  LDD0145 
NADH dehydrogenase iron-sulfur protein 2, mitochondrial (NDUFS2) LDTP01168 4.87  LDD0145 
NADH-cytochrome b5 reductase 3 (CYB5R3) LDTP01770 2.01  LDD0145 
NADPH--cytochrome P450 reductase (POR) LDTP02848 2.59  LDD0145 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 2.78  LDD0145 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 15.03  LDD0145 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 2.06  LDD0144 
Patatin-like phospholipase domain-containing protein 2 (PNPLA2) LDTP10077 2.00  LDD0144 
Patatin-like phospholipase domain-containing protein 6 (PNPLA6) LDTP08617 20.00  LDD0145 
Phosphatidylserine synthase 1 (PTDSS1) LDTP04203 2.21  LDD0145 
Polypeptide N-acetylgalactosaminyltransferase 1 (GALNT1) LDTP05624 2.37  LDD0145 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 4.98  LDD0145 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 2.46  LDD0144 
Prostaglandin E synthase 2 (PTGES2) LDTP12040 2.74  LDD0145 
Prostaglandin G/H synthase 2 (PTGS2) LDTP03736 2.49  LDD0144 
Prostaglandin reductase 2 (PTGR2) LDTP08979 2.12  LDD0144 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 2.42  LDD0145 
Retinol dehydrogenase 10 (RDH10) LDTP08722 2.78  LDD0145 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 4.14  LDD0145 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 2.26  LDD0145 
Serine palmitoyltransferase 1 (SPTLC1) LDTP00597 2.12  LDD0145 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 3.55  LDD0145 
Serum paraoxonase/lactonase 3 (PON3) LDTP06334 2.93  LDD0145 
Short-chain dehydrogenase/reductase 3 (DHRS3) LDTP01349 3.09  LDD0145 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 3.27  LDD0145 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 2.99  LDD0145 
Squalene monooxygenase (SQLE) LDTP06142 3.30  LDD0145 
Squalene synthase (FDFT1) LDTP03842 2.46  LDD0145 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 2.54  LDD0145 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 2.55  LDD0145 
TLC domain-containing protein 1 (TLCD1) LDTP10182 11.70  LDD0145 
UDP-glucuronosyltransferase 1A7 (UGT1A7) LDTP12147 3.99  LDD0145 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 2.97  LDD0145 
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⏷ Show the Full List of 74 Enzyme
30 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Calcium load-activated calcium channel (TMCO1) LDTP13599 2.38  LDD0145 
Calnexin (CANX) LDTP03405 2.13  LDD0145 
Caveolin-1 (CAV1) LDTP05394 2.19  LDD0144 
Derlin-1 (DERL1) LDTP11245 2.43  LDD0145 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit (DDOST) LDTP03870 2.03  LDD0145 
Lipid scramblase CLPTM1L (CLPTM1L) LDTP10499 2.24  LDD0145 
Lysosome membrane protein 2 (SCARB2) LDTP06034 2.72  LDD0145 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 2.09  LDD0145 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 4.60  LDD0145 
Mitochondrial import inner membrane translocase subunit Tim17-A (TIMM17A) LDTP10913 6.69  LDD0145 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 20.00  LDD0145 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 2.76  LDD0144 
Nucleoporin NDC1 (NDC1) LDTP11213 2.78  LDD0145 
PAT complex subunit CCDC47 (CCDC47) LDTP10059 2.38  LDD0145 
Prosaposin (PSAP) LDTP02215 2.34  LDD0144 
Protein GPR107 (GPR107) LDTP07236 6.46  LDD0145 
Protein transport protein Sec61 subunit alpha isoform 1 (SEC61A1) LDTP04932 2.02  LDD0145 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 2.06  LDD0145 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 4.77  LDD0145 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 20.00  LDD0144 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 2.08  LDD0145 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 5.25  LDD0145 
Translocation protein SEC63 homolog (SEC63) LDTP13243 2.02  LDD0145 
Transmembrane emp24 domain-containing protein 3 (TMED3) LDTP14002 2.07  LDD0144 
Transmembrane protein 199 (TMEM199) LDTP08881 2.48  LDD0145 
Transmembrane protein 208 (TMEM208) LDTP11214 2.14  LDD0144 
Vacuole membrane protein 1 (VMP1) LDTP10343 2.10  LDD0145 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 3.34  LDD0145 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.35  LDD0145 
Zinc transporter 7 (SLC30A7) LDTP09180 2.14  LDD0145 
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⏷ Show the Full List of 30 Transporter and channel
1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
DnaJ homolog subfamily C member 1 (DNAJC1) LDTP10501 3.86  LDD0145 
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2 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Basigin (BSG) LDTP03772 2.40  LDD0144 
Neuroplastin (NPTN) LDTP14205 2.98  LDD0145 
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20 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Ankyrin repeat and LEM domain-containing protein 2 (ANKLE2) LDTP08364 3.05  LDD0145 
Apolipoprotein L2 (APOL2) LDTP11076 20.00  LDD0145 
FAS-associated factor 2 (FAF2) LDTP10185 4.14  LDD0145 
Glycosylphosphatidylinositol anchor attachment 1 protein (GPAA1) LDTP00729 2.36  LDD0145 
Integrin alpha-3 (ITGA3) LDTP03342 2.37  LDD0145 
Lipase maturation factor 2 (LMF2) LDTP15887 2.41  LDD0145 
Lipid droplet-regulating VLDL assembly factor AUP1 (AUP1) LDTP14217 2.31  LDD0145 
Perilipin-2 (PLIN2) LDTP10889 9.15  LDD0145 
Perilipin-3 (PLIN3) LDTP01021 8.87  LDD0145 
Peroxiredoxin-like 2A (PRXL2A) LDTP11140 2.26  LDD0145 
Phosphatidylinositol glycan anchor biosynthesis class U protein (PIGU) LDTP11906 2.19  LDD0145 
Protein FAM114A2 (FAM114A2) LDTP16080 20.00  LDD0145 
Protein LYRIC (MTDH) LDTP08224 2.06  LDD0145 
Protein YIF1B (YIF1B) LDTP06948 2.09  LDD0145 
Reticulon-3 (RTN3) LDTP01522 4.54  LDD0145 
Reticulon-4 (RTN4) LDTP12412 2.84  LDD0145 
RUS family member 1 (RUSF1) LDTP10357 2.93  LDD0145 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 2.63  LDD0145 
Torsin-1A-interacting protein 1 (TOR1AIP1) LDTP07012 2.29  LDD0145 
Tumor protein D54 (TPD52L2) LDTP00759 8.38  LDD0145 
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⏷ Show the Full List of 20 Other

Full Information of The Labelling Profiles of This Competitor

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 Ro 48-8071
Competitor Concentration 5 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Lung
Disease Model Lung adenocarcinoma [ICD-11:2C25]
Model Name Human lung adenocarcinoma cells (A-549)
Interaction Atlas ID  LDD0144  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 5 uM
Quantitative Method SILAC
Competitor Name Ro 48-8071
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Lung
Disease Model Lung adenocarcinoma [ICD-11:2C25]
Model Name Human lung adenocarcinoma cells (A-549)
Interaction Atlas ID  LDD0145  Download The Altas

References

1 A Global Map of Lipid-Binding Proteins and Their Ligandability in Cells. Cell. 2015 Jun 18;161(7):1668-80. doi: 10.1016/j.cell.2015.05.045.