Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0083
Competitor Name
Avasimibe
Synonyms
Avasimibe; 166518-60-1; CI-1011; 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)acetyl)sulfamate; ((2,4,6-Tris(1-methylethyl)phenyl)acetyl)sulfamic acid 2,6-bis(1-methylethyl)phenyl ester; Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester; 28LQ20T5RC; CHEMBL101309; 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)-acetyl)sulfamate; MFCD00934956; [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate; N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-benzeneacetamide; Avasimibe [USAN]; Avasimibe(CI-1011); SMR002530075; CI 1011; Avasimibe [USAN:INN]; UNII-28LQ20T5RC; PD 148515; Avasimibe,CI-1011; AVASIMIBE [INN]; AVASIMIBE [MI]; Avasimibe (USAN/INN); 2,6-Diisopropylphenyl ((2,4,6-triisopropylphenyl)acetyl)sulfamate; 2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)acetylsulfamate; Avasimibe (CI-1011); AVASIMIBE [WHO-DD]; N-((2,6-Bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)benzeneacetamide; N-[(2,6-DIISOPROPYLPHENOXY)SULFONYL]-2-(2,4,6-TRIISOPROPYLPHENYL)ACETAMIDE; Avasimibe (CI-1011)?; BIDD:PXR0029; SCHEMBL15876; MLS006010422; MLS006010991; Avasimibe, >=98% (HPLC); DTXSID80168117; CHEBI:177719; HMS3655H08; HMS3866C13; BCP02302; EX-A2230; BDBM50069900; s2187; AKOS015913985; BCP9000344; CCG-269706; CS-5695; DB06442; SB19572; 2,6-bis(1-methylethyl)phenyl ((2,4,6-tris(1-methylethyl)phenyl)acetyl)sulfamate; Benzeneacetamide, N-((2,6-bis(1-methylethyl)phenoxy)sulfonyl)-2,4,6-tris(1-methylethyl)-; N-(2,6-DIPROPAN-2-YLPHENOXY)SULFONYL-2-(2,4,6-TRIPROPAN-2-YLPHENYL)ACETAMIDE; NCGC00346572-01; NCGC00346572-02; [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid; AC-35841; AS-74646; Avasimibe; CI-1011; PD-148515; HY-13215; PD-148515; NS00068604; SW219628-1; C73212; D03012; SR-01000944953; J-523295; SR-01000944953-1; Q27254327; [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulamate; [2-(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 2,6-diisopropyl-phenyl ester; 1-({[2,6-bis(propan-2-yl)phenoxy]sulfonyl}amino)-2-[2,4,6-tris(propan-2-yl)phenyl]ethan-1-one; CI-1011; PD 148515; [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester] sulfamic acid
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 501.7
Lipid-water partition coefficient (xlogp) 8.2
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C29H43NO4S
IUPAC Name
[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
InChIKey
PTQXTEKSNBVPQJ-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

34 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
1-acylglycerol-3-phosphate O-acyltransferase ABHD5 (ABHD5) LDTP09542 20.00  LDD0143 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 2.10  LDD0143 
Aldo-keto reductase family 1 member C3 (AKR1C3) LDTP03976 2.77  LDD0143 
Cytochrome b5 type B (CYB5B) LDTP00697 2.09  LDD0143 
Dehydrogenase/reductase SDR family member 1 (DHRS1) LDTP10550 7.68  LDD0143 
Dehydrogenase/reductase SDR family member on chromosome X (DHRSX) LDTP08900 3.74  LDD0143 
Delta(14)-sterol reductase LBR (LBR) LDTP06200 2.10  LDD0143 
Endoplasmic reticulum metallopeptidase 1 (ERMP1) LDTP08017 2.05  LDD0143 
Epoxide hydrolase 1 (EPHX1) LDTP02175 2.45  LDD0143 
Estradiol 17-beta-dehydrogenase 11 (HSD17B11) LDTP09063 4.60  LDD0143 
Fatty acid 2-hydroxylase (FA2H) LDTP07963 2.12  LDD0143 
Fatty acid CoA ligase Acsl3 (ACSL3) LDTP01634 2.09  LDD0143 
Ferroptosis suppressor protein 1 (AIFM2) LDTP11124 16.14  LDD0143 
Glycerol-3-phosphate acyltransferase 3 (GPAT3) LDTP06885 2.70  LDD0143 
GTP-binding protein SAR1a (SAR1A) LDTP12470 2.27  LDD0143 
GTP-binding protein SAR1b (SAR1B) LDTP14231 2.07  LDD0143 
Lanosterol synthase (LSS) LDTP04183 2.28  LDD0143 
Lysophosphatidylserine lipase ABHD12 (ABHD12) LDTP08799 2.10  LDD0143 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 2.05  LDD0143 
NADH-cytochrome b5 reductase 3 (CYB5R3) LDTP01770 2.28  LDD0143 
Patatin-like phospholipase domain-containing protein 2 (PNPLA2) LDTP10077 8.08  LDD0143 
Polypeptide N-acetylgalactosaminyltransferase 4 (GALNT4) LDTP08859 2.39  LDD0143 
Reticulon-4-interacting protein 1, mitochondrial (RTN4IP1) LDTP09666 7.68  LDD0143 
Retinol dehydrogenase 10 (RDH10) LDTP08722 3.89  LDD0143 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 3.38  LDD0143 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 2.47  LDD0143 
Short-chain dehydrogenase/reductase 3 (DHRS3) LDTP01349 3.04  LDD0143 
Squalene monooxygenase (SQLE) LDTP06142 2.29  LDD0143 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 3.22  LDD0143 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 5.08  LDD0143 
Tubulin alpha-1A chain (TUBA1A) LDTP07907 2.53  LDD0143 
Tubulin alpha-4A chain (TUBA4A) LDTP05075 2.55  LDD0143 
Tubulin alpha-8 chain (TUBA8) LDTP12810 2.73  LDD0143 
UDP-glucose 6-dehydrogenase (UGDH) LDTP01033 2.12  LDD0143 
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⏷ Show the Full List of 34 Enzyme
3 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 2.59  LDD0143 
Protein GPR107 (GPR107) LDTP07236 2.62  LDD0143 
Vesicular integral-membrane protein VIP36 (LMAN2) LDTP05690 2.04  LDD0143 
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16 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ADP-ribosylation factor GTPase-activating protein 1 (ARFGAP1) LDTP08950 14.31  LDD0143 
Apolipoprotein L2 (APOL2) LDTP11076 2.16  LDD0143 
ER lumen protein-retaining receptor 3 (KDELR3) LDTP00850 2.10  LDD0143 
FAS-associated factor 2 (FAF2) LDTP10185 4.95  LDD0143 
Lipid droplet-regulating VLDL assembly factor AUP1 (AUP1) LDTP14217 2.76  LDD0143 
Perilipin-2 (PLIN2) LDTP10889 9.04  LDD0143 
Perilipin-3 (PLIN3) LDTP01021 2.76  LDD0143 
Protein FAM114A2 (FAM114A2) LDTP16080 2.77  LDD0143 
Regulator of microtubule dynamics protein 2 (RMDN2) LDTP10567 4.94  LDD0143 
Reticulon-4 (RTN4) LDTP12412 2.59  LDD0143 
Tubulin beta chain (TUBB) LDTP02205 2.39  LDD0143 
Tubulin beta-2B chain (TUBB2B) LDTP11277 2.31  LDD0143 
Tubulin beta-3 chain (TUBB3) LDTP05904 2.30  LDD0143 
Tubulin beta-4B chain (TUBB4B) LDTP05076 2.35  LDD0143 
Tubulin beta-6 chain (TUBB6) LDTP11233 2.24  LDD0143 
Tumor protein D54 (TPD52L2) LDTP00759 2.79  LDD0143 
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⏷ Show the Full List of 16 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 Avasimibe
Competitor Concentration 25 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  LDD0143  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.