Details of the Target

General Information of Target

Target ID LDTP03207
Target Name Liver carboxylesterase 1 (CES1)
Gene Name CES1
Gene ID 1066
Synonyms
CES2; SES1; Liver carboxylesterase 1; Acyl-coenzyme A:cholesterol acyltransferase; ACAT; Brain carboxylesterase hBr1; Carboxylesterase 1; CE-1; hCE-1; EC 3.1.1.1; Cholesteryl ester hydrolase; CEH; EC 3.1.1.13; Cocaine carboxylesterase; Egasyn; HMSE; Methylumbelliferyl-acetate deacetylase 1; EC 3.1.1.56; Monocyte/macrophage serine esterase; Retinyl ester hydrolase; REH; Serine esterase 1; Triacylglycerol hydrolase; TGH
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MWLRAFILATLSASAAWGHPSSPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPL
GPLRFTPPQPAEPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLN
IYTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLGIWGFFST
GDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAGGESVSVLVLSPLAKNLF
HRAISESGVALTSVLVKKGDVKPLAEQIAITAGCKTTTSAVMVHCLRQKTEEELLETTLK
MKFLSLDLQGDPRESQPLLGTVIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIP
MQLMSYPLSEGQLDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDL
IADVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDELFSVFGAPF
LKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQKEGYLQIGANTQAAQKLK
DKEVAFWTNLFAKKAVEKPPQTEHIEL
Target Type
Successful
Target Bioclass
Enzyme
Family
Type-B carboxylesterase/lipase family
Subcellular location
Endoplasmic reticulum lumen
Function
Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate. Converts monoacylglycerides to free fatty acids and glycerol. Hydrolyzes of 2-arachidonoylglycerol and prostaglandins. Hydrolyzes cellular cholesteryl esters to free cholesterols and promotes reverse cholesterol transport (RCT) by facilitating both the initial and final steps in the process. First of all, allows free cholesterol efflux from macrophages to extracellular cholesterol acceptors and secondly, releases free cholesterol from lipoprotein-delivered cholesteryl esters in the liver for bile acid synthesis or direct secretion into the bile.
TTD ID
T76369
Uniprot ID
P23141
DrugMap ID
TTMF541
Ensemble ID
ENST00000360526.8
HGNC ID
HGNC:1863
ChEMBL ID
CHEMBL2265

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 7 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
YN-1
 Probe Info  		100.00  LDD0444  [1]
YN-4
 Probe Info  		100.00  LDD0445  [1]
IPM
 Probe Info  		N.A.  LDD0241  [2]
IA-alkyne
 Probe Info  		C390(0.00); C116(0.00); C274(0.00)  LDD0162  [3]
WYneN
 Probe Info  		N.A.  LDD0021  [4]
WYneO
 Probe Info  		N.A.  LDD0022  [4]
W1
 Probe Info  		N.A.  LDD0236  [2]
PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
PARPYnD
 Probe Info  		1.54  LDD0374  [5]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EBP) EBP family Q15125
GTP-binding protein SAR1a (SAR1A) SAR1 family Q9NR31
Transporter and channel
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Phospholipid scramblase 4 (PLSCR4) Phospholipid scramblase family Q9NRQ2
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Homeobox protein VENTX (VENTX) . O95231
Other
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Cysteine-rich tail protein 1 (CYSRT1) CYSRT1 family A8MQ03
RAB6-interacting golgin (GORAB) GORAB family Q5T7V8
Keratinocyte proline-rich protein (KPRP) . Q5T749
PDZK1-interacting protein 1 (PDZK1IP1) . Q13113

The Drug(s) Related To This Target

Approved
Click To Hide/Show 34 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Benzocaine Small molecular drug DB01086
Cannabidiol Small molecular drug DB09061
Capecitabine Small molecular drug DB01101
Cholic Acid Small molecular drug D0OR2L
Ciclesonide Small molecular drug DB01410
Clopidogrel Small molecular drug DB00758
Cocaine Small molecular drug DB00907
Cyclandelate Small molecular drug DB04838
Dabigatran Etexilate Small molecular drug DB06695
Dextropropoxyphene Small molecular drug DB00647
Diamorphine Small molecular drug DB01452
Dronabinol Small molecular drug DB00470
Fenofibrate Small molecular drug DB01039
Flupentixol Small molecular drug DB00875
Indomethacin Small molecular drug DB00328
Irinotecan Small molecular drug DB00762
Levocarnitine Small molecular drug DB00583
Meperidine Small molecular drug DB00454
Mycophenolate Mofetil Small molecular drug DB00688
Naloxone Small molecular drug DB01183
Oseltamivir Small molecular drug DB00198
Probucol Small molecular drug DB01599
Quinapril Small molecular drug DB00881
Remdesivir Small molecular drug DB14761
Rufinamide Small molecular drug DB06201
Selexipag Small molecular drug DB11362
Simvastatin Small molecular drug DB00641
Tacrine Small molecular drug DB00382
Tamoxifen Small molecular drug DB00675
Telotristat Ethyl Small molecular drug DB12095
Tenofovir Alafenamide Small molecular drug DB09299
Trandolapril Small molecular drug DB00519
Filgotinib . DB14845
Homatropine . DB11181
Phase 3
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Pactimibe Small molecular drug D02GWF
Phase 2
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Eldacimibe Small molecular drug D0YB4D
K-604 Small molecular drug D03PYD
Clinical trial
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Gr148672x Small molecular drug D05EMV
Preclinical
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Hl-004 . D09MJO
Investigative
Click To Hide/Show 120 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(1r)-1,2,2-trimethylpropyl (R)-methylphosphinate Small molecular drug D0Y8RM
(1r)-122-trimethylpropyl (R)-methylphosphinate Small molecular drug DB07821
(E)-octadec-9-enoic Acid Phenylamide Small molecular drug D0F0JI
1,1,1-trifluoro-3-(Hexylsulfinyl)Propan-2-one Small molecular drug D0F7NU
1,1,1-trifluoro-3-(Hexylsulfonyl)Propan-2-one Small molecular drug D04JVA
1,1,1-trifluoro-3-(Hexylthio)Propan-2-one Small molecular drug D0Z7WK
1,1,1-trifluoro-3-(Octylsulfinyl)Propan-2-one Small molecular drug D04UEN
1,1,1-trifluoro-3-(Octylsulfonyl)Propan-2-one Small molecular drug D00IAK
1,1,1-trifluoro-3-(Octylthio)Propan-2-one Small molecular drug D0Q3GH
1,1,1-trifluorododecan-2-one Small molecular drug D0I7FF
1,10-phenanthroline-5,6-dione Small molecular drug D0JH7C
1,2-bis(2,3,4-trifluorophenyl)-2-hydroxyethanone Small molecular drug D06GYH
1,2-bis(2,3,4-trifluorophenyl)Ethane-1,2-dione Small molecular drug D0P1IK
1,2-bis(2,3,5-trifluorophenyl)-2-hydroxyethanone Small molecular drug D0D2HH
1,2-bis(2,3,5-trifluorophenyl)Ethane-1,2-dione Small molecular drug D08UOB
1,2-bis(2,3,6-trifluorophenyl)Ethane-1,2-dione Small molecular drug D0E2IG
1,2-bis(2,3-difluorophenyl)-2-hydroxyethanone Small molecular drug D0M2ZD
1,2-bis(2,3-fluorophenyl)Ethane-1,2-dione Small molecular drug D05LTW
1,2-bis(2,4-difluorophenyl)-2-hydroxyethanone Small molecular drug D0ZT5C
1,2-bis(2,4-difluorophenyl)Ethane-1,2-dione Small molecular drug D02HQS
1,2-bis(2,5-difluorophenyl)-2-hydroxyethanone Small molecular drug D00PLH
1,2-bis(2,5-difluorophenyl)Ethane-1,2-dione Small molecular drug D05EMT
1,2-bis(2,6-difluorophenyl)-2-hydroxyethanone Small molecular drug D04CDV
1,2-bis(2,6-difluorophenyl)Ethane-1,2-dione Small molecular drug D01VCS
1,2-bis(2-fluorophenyl)-2-hydroxyethanone Small molecular drug D05VUC
1,2-bis(2-fluorophenyl)Ethane-1,2-dione Small molecular drug D02GJG
1,2-bis(3,4,5-trifluorophenyl)-2-hydroxyethanone Small molecular drug D01HZN
1,2-bis(3,4,5-trifluorophenyl)Ethane-1,2-dione Small molecular drug D0CN8Z
1,2-bis(3,4-difluorophenyl)-2-hydroxyethanone Small molecular drug D0U0BV
1,2-bis(3,4-difluorophenyl)Ethane-1,2-dione Small molecular drug D0K6OM
1,2-bis(3,5-difluorophenyl)-2-hydroxyethanone Small molecular drug D0L4MF
1,2-bis(3,5-difluorophenyl)Ethane-1,2-dione Small molecular drug D09LSR
1,2-bis(3-fluorophenyl)-2-hydroxyethanon Small molecular drug D0AW4P
1,2-bis(3-fluorophenyl)Ethane-1,2-dione Small molecular drug D0Y6RZ
1,2-bis(4-fluorophenyl)Ethane-1,2-dione Small molecular drug D0DW9J
1,2-bis-(2-chloro-phenyl)-ethane-1,2-dione Small molecular drug D03HZT
1,2-bis-(3-methoxy-phenyl)-ethane-1,2-dione Small molecular drug D01VAU
1,2-bis-(3-nitro-phenyl)-ethane-1,2-dione Small molecular drug D0UT1X
1,2-bis-(4-bromo-phenyl)-ethane-1,2-dione Small molecular drug D06FFD
1,2-bis-(4-chloro-phenyl)-ethane-1,2-dione Small molecular drug D05EYA
1,2-bis-(4-methoxy-phenyl)-ethane-1,2-dione Small molecular drug D0UZ8R
1,2-di-naphthalen-2-yl-ethane-1,2-dione Small molecular drug D03WOU
1,2-di-p-tolyl-ethane-1,2-dione Small molecular drug D0UK5A
1,2-dicyclohexylethane-1,2-dione Small molecular drug D0LJ2F
1,2-indanedione Small molecular drug D01XGP
1,2-naphthoquinone Small molecular drug D0W9VA
1-(2-bromoethyl)-1h-indole-2,3-dione Small molecular drug D0JI0H
1-(2-iodoethyl)-1h-indole-2,3-dione Small molecular drug D05PNO
1-(3,4-dichlorobenzyl)-1h-indole-2,3-dione Small molecular drug D07EDG
1-(3,4-dimethyl-phenyl)-2-phenyl-ethane-1,2-dione Small molecular drug D0N8YZ
1-(4-chloro-phenyl)-2-p-tolyl-ethane-1,2-dione Small molecular drug D0L1ST
1-(4-chloro-phenyl)-2-phenyl-ethane-1,2-dione Small molecular drug D0F3RN
1-(4-chlorobenzyl)-1h-indole-2,3-dione Small molecular drug D0C9AD
1-(4-methoxy-phenyl)-2-phenyl-ethane-1,2-dione Small molecular drug D0T5XC
1-(4-nitro-phenyl)-2-phenyl-ethane-1,2-dione Small molecular drug D0D7FN
1-benzyl-1h-indole-2,3-dione Small molecular drug D0O0LU
1-butyryl-1h-indole-2,3-dione Small molecular drug D0M5NR
1-dodecyl-1h-indole-2,3-dione Small molecular drug D00ANJ
1-hexadecyl-1h-indole-2,3-dione Small molecular drug D0ZL6B
1-methyl-1h-indole-2,3-dione Small molecular drug D0U3JD
1-phenyl-1h-indole-2,3-dione Small molecular drug D01HRG
1-phenyl-2-p-tolyl-ethane-1,2-dione Small molecular drug D0B8YX
1-phenyl-propane-1,2-dione Small molecular drug D02TLP
1-propionyl-1h-indole-2,3-dione Small molecular drug D07CFJ
11,12-dihydro-dibenzo[A,E]Cyclooctene-5,6-dione Small molecular drug D05XRY
2,2-dimethoxy-1,2-diphenyl-ethanone Small molecular drug D08AOG
2,2-dimethyl-3-methyleneheptadecane Small molecular drug D01NDE
2-methoxy-3,4-methylenedioxybenzophenone Small molecular drug D0H5II
3,4,5,6-tetrachloro-[1,2]Benzoquinone Small molecular drug D0N0HK
3,5-di-tert-butyl-[1,2]Benzoquinone Small molecular drug D0Z1WQ
3-(Butylsulfinyl)-1,1,1-trifluoropropan-2-one Small molecular drug D0O9EB
3-(Butylthio)-1,1,1-trifluoropropan-2-one Small molecular drug D0FO4J
3-(Decylsulfinyl)-1,1,1-trifluoropropan-2-one Small molecular drug D00VKB
3-(Decylsulfonyl)-1,1,1-trifluoropropan-2-one Small molecular drug D0Y0FN
3-(Decylthio)-1,1,1-trifluoropropan-2-one Small molecular drug D0E5CF
3-(Dodecylsulfinyl)-1,1,1-trifluoropropan-2-one Small molecular drug D0B4GJ
3-(Dodecylsulfonyl)-1,1,1-trifluoropropan-2-one Small molecular drug D02SDT
4,5-dichloro-1h-indole-2,3-dione Small molecular drug D0Z6CZ
4,6-dichloro-1h-indole-2,3-dione Small molecular drug D04EXR
4,7-dichloro-1h-indole-2,3-dione Small molecular drug D0EK7H
4-(2-oxo-2-phenyl-acetyl)-benzoic Acid Small molecular drug D0BB2U
4-chloro-1h-indole-2,3-dione Small molecular drug D04AXR
4-chloro-7-methyl-1h-indole-2,3-dione Small molecular drug D0B1TQ
4-piperidino-piperidine Small molecular drug D07WHV
5,6-dinitroacenaphthoquinone Small molecular drug D0WX6R
5,7-dichloro-1h-indole-2,3-dione Small molecular drug D0NJ4G
5-(Trifluoromethoxy)-1h-indole-2,3-dione Small molecular drug D0ZR2T
5-chloro-1h-indole-2,3-dione Small molecular drug D03TPH
6,7-dichloro-1h-indole-2,3-dione Small molecular drug D0Z8HX
6-bromo-5-methyl-1h-indole-2,3-dione Small molecular drug D0N9ZR
7-(Trifluoromethyl)-1h-indole-2,3-dione Small molecular drug D0E5ZP
7-chloro-1h-indole-2,3-dione Small molecular drug D0X0ER
Acenanthrene-9,10-dione Small molecular drug D0K6PO
Acenaphthoquinone Small molecular drug D06VGD
Alpha-d-mannose Small molecular drug D07LUR
Benzil Small molecular drug D0Y7FX
Benzoin Small molecular drug D0Z5KQ
Chloranil Small molecular drug D0D0BI
Dibutyl 2,2,2-trifluoro-1-phenylethyl Phosphate Small molecular drug D02VYI
Diethyl 2,2,2-trifluoro-1-phenylethyl Phosphate Small molecular drug D01GSO
Dimethyl 2,2,2-trifluoro-1-phenylethyl Phosphate Small molecular drug D0XP0J
Heptane-2,3-dione Small molecular drug D05AVX
Mevastatin Small molecular drug DB06693
N-acetyl-alpha-neuraminic Acid Small molecular drug DB03721
N-methylnaloxonium Small molecular drug D06ZPI
Nsc-23180 Small molecular drug D0F5VY
O-sialic Acid Small molecular drug D08WQM
Oleic Acid Anilide Small molecular drug D0T7YM
Phenanthrene-9,10-dione Small molecular drug D0Q2YJ
Pyripyropene A Small molecular drug D0A2NK
Sch-48375 Small molecular drug D0W0PH
Smp-797 Small molecular drug D02EZF
Thenoyltrifluoroacetone Small molecular drug D0F4QX
Thieno[3,2-e][1]Benzothiophene-4,5-dione Small molecular drug D05ZCX
(1s7s8s8ar)-123788a-hexahydro-7-methyl-8-[2-[(2r4r)-tetrahydro-4-hy Droxy-6-oxo-2h-pyran-2-yl]Ethyl]-1-naphthalenol . DB08224
Hydroxy-phenyl-acetic Acid 8-methyl-8-aza-bicyclo[3.2.1]Oct-3-yl Ester . DB02161
Ky-382 . D0V9MG
Medical Cannabis . DB14009
Vicagrel . DB16349
Vulm-1457 . D0OH1O
Discontinued
Click To Hide/Show 21 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Avasimibe Small molecular drug D0O1KX
Ci-976 Small molecular drug D0D1XG
Cl-277082 Small molecular drug D06FCR
E-5324 Small molecular drug D01IDE
Eflucimibe Small molecular drug D0W0ED
F-1394 Small molecular drug D03QZB
Lecimibide Small molecular drug D03EHR
Rp-73163 Small molecular drug D06KFR
Ym-17e Small molecular drug D0IZ7T
Ym-750 Small molecular drug D0D9AD
447c88 . D04ODQ
Ceb-925 . D0J8TH
Ci-999 . D0PG0S
Cl-283796 . D0E1UZ
Dup-129 . D0K8KJ
Fr-129169 . D00KQT
Fr-145237 . D0O2AC
Nte-122 . D03JRJ
Rp-64477 . D07DBS
Rp-70676 . D03YPL
Tei-6522 . D0OK8M

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 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.
3 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
4 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
5 Structure-Guided Design and In-Cell Target Profiling of a Cell-Active Target Engagement Probe for PARP Inhibitors. ACS Chem Biol. 2020 Feb 21;15(2):325-333. doi: 10.1021/acschembio.9b00963. Epub 2020 Feb 10.