Details of the Target

General Information of Target

Target ID LDTP07591
Target Name Neutral cholesterol ester hydrolase 1 (NCEH1)
Gene Name NCEH1
Gene ID 57552
Synonyms
AADACL1; KIAA1363; Neutral cholesterol ester hydrolase 1; NCEH; EC 3.1.1.-; Acetylalkylglycerol acetylhydrolase; 2-acetyl MAGE hydrolase; EC 3.1.1.71; Arylacetamide deacetylase-like 1
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MRSSCVLLTALVALAAYYVYIPLPGSVSDPWKLMLLDATFRGAQQVSNLIHYLGLSHHLL
ALNFIIVSFGKKSAWSSAQVKVTDTDFDGVEVRVFEGPPKPEEPLKRSVVYIHGGGWALA
SAKIRYYDELCTAMAEELNAVIVSIEYRLVPKVYFPEQIHDVVRATKYFLKPEVLQKYMV
DPGRICISGDSAGGNLAAALGQQFTQDASLKNKLKLQALIYPVLQALDFNTPSYQQNVNT
PILPRYVMVKYWVDYFKGNYDFVQAMIVNNHTSLDVEEAAAVRARLNWTSLLPASFTKNY
KPVVQTTGNARIVQELPQLLDARSAPLIADQAVLQLLPKTYILTCEHDVLRDDGIMYAKR
LESAGVEVTLDHFEDGFHGCMIFTSWPTNFSVGIRTRNSYIKWLDQNL
Target Bioclass
Enzyme
Family
'GDXG' lipolytic enzyme family
Subcellular location
Cell membrane
Function
Hydrolyzes 2-acetyl monoalkylglycerol ether (1-O-alkyl-2-acetyl-sn-glycerol), the penultimate precursor of the pathway for de novo synthesis of platelet-activating factor. May be responsible for the hydrolysis of cholesterol esters (such as cholesteryl (9Z-octadecenoate)) in macrophages. Also involved in organ detoxification by hydrolyzing exogenous organophosphorus compounds. May contribute to cancer pathogenesis by promoting tumor cell migration.
Uniprot ID
Q6PIU2
Ensemble ID
ENST00000475381.7
HGNC ID
HGNC:29260
ChEMBL ID
CHEMBL5048

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
HEC1 SNV: p.Q331H .
HEC1B SNV: p.Q331H .
LNCaP clone FGC SNV: p.G89S .
MDAMB231 SNV: p.S108N .
OSRC2 SNV: p.R107H DBIA    Probe Info 
PANC1 SNV: p.G258D DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 23 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
HDSF-alk
 Probe Info  		2.07  LDD0197  [1]
EN219-alkyne
 Probe Info  		3.94  LDD0297  [2]
CHEMBL5175495
 Probe Info  		18.97  LDD0196  [3]
CY-1
 Probe Info  		100.00  LDD0243  [4]
CY4
 Probe Info  		100.00  LDD0244  [4]
N1
 Probe Info  		100.00  LDD0242  [4]
FBP2
 Probe Info  		2.03  LDD0323  [5]
YN-1
 Probe Info  		100.00  LDD0444  [6]
YN-4
 Probe Info  		100.00  LDD0445  [6]
STPyne
 Probe Info  		K152(8.51); K167(6.60); K301(10.00)  LDD0277  [7]
OPA-S-S-alkyne
 Probe Info  		K359(1.48)  LDD3494  [8]
m-APA
 Probe Info  		11.51  LDD0403  [9]
DBIA
 Probe Info  		C353(1.97)  LDD3316  [10]
THZ1-DTB
 Probe Info  		C186(2.47)  LDD0461  [11]
BTD
 Probe Info  		C345(0.41)  LDD2115  [12]
Curcusone 37
 Probe Info  		9.03  LDD0188  [13]
Jackson_14
 Probe Info  		2.17  LDD0123  [14]
Johansson_61
 Probe Info  		_(11.87)  LDD1485  [15]
YY4-yne
 Probe Info  		3.75  LDD0400  [16]
HPAP
 Probe Info  		3.55  LDD0062  [17]
IA-alkyne
 Probe Info  		C186(0.00); C345(0.00)  LDD0162  [18]
NHS
 Probe Info  		N.A.  LDD0010  [19]
NAIA_5
 Probe Info  		N.A.  LDD2223  [20]
PAL-AfBPP Probe
Click To Hide/Show 16 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
DR-1
 Probe Info  		2.03  LDD0398  [21]
C027
 Probe Info  		6.23  LDD1733  [22]
C056
 Probe Info  		17.39  LDD1753  [22]
C091
 Probe Info  		12.38  LDD1782  [22]
C094
 Probe Info  		34.06  LDD1785  [22]
C112
 Probe Info  		18.00  LDD1799  [22]
C178
 Probe Info  		15.78  LDD1857  [22]
C246
 Probe Info  		13.18  LDD1919  [22]
C251
 Probe Info  		37.01  LDD1924  [22]
C299
 Probe Info  		7.31  LDD1968  [22]
FFF probe11
 Probe Info  		20.00  LDD0471  [23]
FFF probe3
 Probe Info  		20.00  LDD0464  [23]
STS-1
 Probe Info  		3.57  LDD0136  [24]
STS-2
 Probe Info  		2.57  LDD0138  [24]
A-DA
 Probe Info  		2.78  LDD0145  [25]
OEA-DA
 Probe Info  		5.07  LDD0046  [26]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C345(0.43)  LDD2142  [12]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C345(1.74)  LDD2117  [12]
 LDCM0156  Aniline NCI-H1299 11.51  LDD0403  [9]
 LDCM0033  Curcusone1d MCF-7 9.03  LDD0188  [13]
 LDCM0100  EN219 231MFP 4.55  LDD0298  [2]
 LDCM0616  Fragment61 Jurkat _(20.00)  LDD1489  [15]
 LDCM0615  Fragment63-R Jurkat _(20.00)  LDD1487  [15]
 LDCM0617  Fragment63-S Jurkat _(20.00)  LDD1490  [15]
 LDCM0569  Fragment7 Jurkat _(11.87)  LDD1485  [15]
 LDCM0022  KB02 42-MG-BA C53(1.08)  LDD2244  [10]
 LDCM0023  KB03 42-MG-BA C53(1.38)  LDD2661  [10]
 LDCM0024  KB05 MEL167 C353(1.97)  LDD3316  [10]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C345(0.41)  LDD2115  [12]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C345(1.52)  LDD2123  [12]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C345(0.73)  LDD2141  [12]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C345(0.59)  LDD2148  [12]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C345(4.80)  LDD2151  [12]
 LDCM0014  Panhematin HEK-293T 3.55  LDD0062  [17]
 LDCM0016  Ranjitkar_cp1 MDA-MB-231 2.17  LDD0123  [14]
 LDCM0084  Ro 48-8071 A-549 2.78  LDD0145  [25]
 LDCM0178  THZ531 HeLa S3 C186(2.47)  LDD0461  [11]
 LDCM0154  YY4 T cell 3.75  LDD0400  [16]

References

1 Fatty Acyl Sulfonyl Fluoride as an Activity-Based Probe for Profiling Fatty Acid-Associated Proteins in Living Cells. Chembiochem. 2022 Feb 16;23(4):e202100628. doi: 10.1002/cbic.202100628. Epub 2021 Dec 30.
2 Chemoproteomics-enabled discovery of covalent RNF114-based degraders that mimic natural product function. Cell Chem Biol. 2021 Apr 15;28(4):559-566.e15. doi: 10.1016/j.chembiol.2021.01.005. Epub 2021 Jan 28.
3 Charting the Chemical Space of Acrylamide-Based Inhibitors of zDHHC20. ACS Med Chem Lett. 2022 Sep 26;13(10):1648-1654. doi: 10.1021/acsmedchemlett.2c00336. eCollection 2022 Oct 13.
4 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
5 Tranylcypromine specificity for monoamine oxidase is limited by promiscuous protein labelling and lysosomal trapping. RSC Chem Biol. 2020 Aug 12;1(4):209-213. doi: 10.1039/d0cb00048e. eCollection 2020 Oct 1.
Mass spectrometry data entry: PXD018580
6 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.
7 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
8 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
9 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
10 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840
11 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
12 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
13 Total Synthesis and Target Identification of the Curcusone Diterpenes. J Am Chem Soc. 2021 Mar 24;143(11):4379-4386. doi: 10.1021/jacs.1c00557. Epub 2021 Mar 11.
14 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.
15 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.
16 A Chemical Proteomic Probe for the Mitochondrial Pyruvate Carrier Complex. Angew Chem Int Ed Engl. 2020 Mar 2;59(10):3896-3899. doi: 10.1002/anie.201914391. Epub 2020 Feb 11.
17 A Chemical Proteomic Map of Heme-Protein Interactions. J Am Chem Soc. 2022 Aug 24;144(33):15013-15019. doi: 10.1021/jacs.2c06104. Epub 2022 Aug 12.
Mass spectrometry data entry: PXD034651
18 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
19 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
20 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
21 Quantitative Proteomics Reveals Cellular Off-Targets of a DDR1 Inhibitor. ACS Med Chem Lett. 2020 Feb 5;11(4):535-540. doi: 10.1021/acsmedchemlett.9b00658. eCollection 2020 Apr 9.
22 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
23 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
24 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.
25 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.
26 Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12(10):2671-2681. doi: 10.1021/acschembio.7b00581. Epub 2017 Sep 20.
Mass spectrometry data entry: PXD007570