Details of the Target

General Information of Target

Target ID LDTP08209
Target Name Acyl-coenzyme A thioesterase 1 (ACOT1)
Gene Name ACOT1
Gene ID 641371
Synonyms
CTE1; Acyl-coenzyme A thioesterase 1; Acyl-CoA thioesterase 1; EC 3.1.2.-; CTE-I; CTE-Ib; Inducible cytosolic acyl-coenzyme A thioester hydrolase; Long chain acyl-CoA thioester hydrolase; Long chain acyl-CoA hydrolase; Palmitoyl-coenzyme A thioesterase; EC 3.1.2.2
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MAATLILEPAGRCCWDEPVRIAVRGLAPEQPVTLRASLRDEKGALFQAHARYRADTLGEL
DLERAPALGGSFAGLEPMGLLWALEPEKPLVRLVKRDVRTPLAVELEVLDGHDPDPGRLL
CRVRHERYFLPPGVRREPVRAGRVRGTLFLPPEPGPFPGIVDMFGTGGGLLEYRASLLAG
KGFAVMALAYYNYEDLPKTMETLHLEYFEEAVNYLLSHPEVKGPGVGLLGISKGGELCLS
MASFLKGITAAVVINGSVANVGGTLRYKGETLPPVGVNRNRIKVTKDGYADIVDVLNSPL
EGPDQKSFIPVERAESTFLFLVGQDDHNWKSEFYANEACKRLQAHGRRKPQIICYPETGH
YIEPPYFPLCRASLHALVGSPIIWGGEPRAHAMAQVDAWKQLQTFFHKHLGGHEGTIPSK
V
Target Bioclass
Enzyme
Family
C/M/P thioester hydrolase family
Subcellular location
Cytoplasm, cytosol
Function
Catalyzes the hydrolysis of acyl-CoAs into free fatty acids and coenzyme A (CoASH), regulating their respective intracellular levels. More active towards saturated and unsaturated long chain fatty acyl-CoAs (C12-C20).
Uniprot ID
Q86TX2
Ensemble ID
ENST00000311148.9
HGNC ID
HGNC:33128
ChEMBL ID
CHEMBL2189136

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 16 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
YN-1
 Probe Info  		100.00  LDD0444  [1]
STPyne
 Probe Info  		K42(10.00)  LDD0277  [2]
Jackson_14
 Probe Info  		2.94  LDD0123  [3]
HHS-475
 Probe Info  		Y289(1.47)  LDD0264  [4]
IA-alkyne
 Probe Info  		N.A.  LDD0163  [5]
NAIA_5
 Probe Info  		C339(0.00); C401(0.00)  LDD2224  [6]
WYneN
 Probe Info  		N.A.  LDD0021  [7]
WYneO
 Probe Info  		N.A.  LDD0022  [7]
ENE
 Probe Info  		N.A.  LDD0006  [7]
IPM
 Probe Info  		N.A.  LDD0005  [7]
TFBX
 Probe Info  		C238(0.00); C339(0.00)  LDD0148  [8]
VSF
 Probe Info  		N.A.  LDD0007  [7]
Phosphinate-6
 Probe Info  		N.A.  LDD0018  [9]
Ox-W18
 Probe Info  		N.A.  LDD2175  [10]
W1
 Probe Info  		C339(0.00); C354(0.00)  LDD0236  [11]
HHS-465
 Probe Info  		N.A.  LDD2240  [12]
PAL-AfBPP Probe
Click To Hide/Show 4 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C017
 Probe Info  		9.38  LDD1725  [13]
C187
 Probe Info  		17.51  LDD1865  [13]
C407
 Probe Info  		34.30  LDD2064  [13]
STS-2
 Probe Info  		N.A.  LDD0138  [14]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0563  Abegg_cp(+)-11 HeLa C339(2.53)  LDD0314  [8]
 LDCM0630  CCW28-3 231MFP C339(1.37)  LDD2214  [15]
 LDCM0632  CL-Sc Hep-G2 C339(20.00)  LDD2227  [6]
 LDCM0116  HHS-0101 DM93 Y289(1.47)  LDD0264  [4]
 LDCM0117  HHS-0201 DM93 Y289(1.94)  LDD0265  [4]
 LDCM0118  HHS-0301 DM93 Y289(2.14)  LDD0266  [4]
 LDCM0119  HHS-0401 DM93 Y289(2.36)  LDD0267  [4]
 LDCM0120  HHS-0701 DM93 Y289(1.68)  LDD0268  [4]
 LDCM0016  Ranjitkar_cp1 MDA-MB-231 2.94  LDD0123  [3]
 LDCM0113  W17 Hep-G2 C339(6.30)  LDD0240  [11]

References

1 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
2 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
3 Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide. J Org Chem. 2018 Sep 21;83(18):11245-11253. doi: 10.1021/acs.joc.8b01831. Epub 2018 Aug 31.
4 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
5 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
6 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
7 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
8 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
9 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
10 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
11 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
12 Global profiling identifies a stress-responsive tyrosine site on EDC3 regulating biomolecular condensate formation. Cell Chem Biol. 2022 Dec 15;29(12):1709-1720.e7. doi: 10.1016/j.chembiol.2022.11.008. Epub 2022 Dec 6.
Mass spectrometry data entry: PXD038010
13 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587
14 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
15 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.