Details of the Target

General Information of Target

Target ID LDTP03210
Target Name Prostaglandin G/H synthase 1 (PTGS1)
Gene Name PTGS1
Gene ID 5742
Synonyms
COX1; Prostaglandin G/H synthase 1; EC 1.14.99.1; Cyclooxygenase-1; COX-1; Prostaglandin H2 synthase 1; PGH synthase 1; PGHS-1; PHS 1; Prostaglandin-endoperoxide synthase 1
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
Target Type
Successful
Target Bioclass
Enzyme
Family
Prostaglandin G/H synthase family
Subcellular location
Microsome membrane
Function
Dual cyclooxygenase and peroxidase that plays an important role in the biosynthesis pathway of prostanoids, a class of C20 oxylipins mainly derived from arachidonate ((5Z,8Z,11Z,14Z)-eicosatetraenoate, AA, C20:4(n-6)), with a particular role in the inflammatory response. The cyclooxygenase activity oxygenates AA to the hydroperoxy endoperoxide prostaglandin G2 (PGG2), and the peroxidase activity reduces PGG2 to the hydroxy endoperoxide prostaglandin H2 (PGH2), the precursor of all 2-series prostaglandins and thromboxanes. This complex transformation is initiated by abstraction of hydrogen at carbon 13 (with S-stereochemistry), followed by insertion of molecular O2 to form the endoperoxide bridge between carbon 9 and 11 that defines prostaglandins. The insertion of a second molecule of O2 (bis-oxygenase activity) yields a hydroperoxy group in PGG2 that is then reduced to PGH2 by two electrons. Involved in the constitutive production of prostanoids in particular in the stomach and platelets. In gastric epithelial cells, it is a key step in the generation of prostaglandins, such as prostaglandin E2 (PGE2), which plays an important role in cytoprotection. In platelets, it is involved in the generation of thromboxane A2 (TXA2), which promotes platelet activation and aggregation, vasoconstriction and proliferation of vascular smooth muscle cells (Probable). Can also use linoleate (LA, (9Z,12Z)-octadecadienoate, C18:2(n-6)) as substrate and produce hydroxyoctadecadienoates (HODEs) in a regio- and stereospecific manner, being (9R)-HODE ((9R)-hydroxy-(10E,12Z)-octadecadienoate) and (13S)-HODE ((13S)-hydroxy-(9Z,11E)-octadecadienoate) its major products.
TTD ID
T60529
Uniprot ID
P23219
DrugMap ID
TT8NGED
Ensemble ID
ENST00000223423.8
HGNC ID
HGNC:9604
ChEMBL ID
CHEMBL221

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
22RV1 SNV: p.C574Y .
CCK81 SNV: p.Y474C .
DANG SNV: p.E489D .
HCT116 SNV: p.C46Y .
HT115 SNV: p.K247N .
MCC13 SNV: p.S529F .
NALM6 SNV: p.R239C .
NCIH2172 SNV: p.C58S .
NCIH23 Substitution: p.L413_V414delinsFL .
ONS76 SNV: p.I187M .
SW620 SNV: p.S131T .
WM2664 SNV: p.A177S .

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 3 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
DBIA
 Probe Info  		C599(2.17)  LDD3335  [1]
HPAP
 Probe Info  		4.47  LDD0063  [2]
IA-alkyne
 Probe Info  		N.A.  LDD0164  [3]
PAL-AfBPP Probe
Click To Hide/Show 2 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-1
 Probe Info  		N.A.  LDD0136  [4]
STS-2
 Probe Info  		N.A.  LDD0138  [4]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0022  KB02 A101D C605(1.02)  LDD2250  [1]
 LDCM0023  KB03 A2780 C599(1.62)  LDD2671  [1]
 LDCM0024  KB05 MONO-MAC-6 C599(2.17)  LDD3335  [1]
 LDCM0014  Panhematin K562 4.47  LDD0063  [2]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Other
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Neuromedin-U (NMU) NmU family P48645
ADP-ribosylation factor GTPase-activating protein 3 (ARFGAP3) . Q9NP61
Pituitary tumor-transforming gene 1 protein-interacting protein (PTTG1IP) . P53801

The Drug(s) Related To This Target

Approved
Click To Hide/Show 84 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Aceclofenac Small molecular drug DB06736
Acetaminophen Small molecular drug DB00316
Acetylsalicylic Acid Small molecular drug DB00945
Aminosalicylic Acid Small molecular drug D01WJL
Antipyrine Small molecular drug DB01435
Antrafenine Small molecular drug DB01419
Balsalazide Small molecular drug D0A6KR
Bromfenac Small molecular drug D0U1OM
Candesartan Cilexetil Small molecular drug DB00796
Cannabidiol Small molecular drug DB09061
Carprofen Small molecular drug DB00821
Chlorpropamide Small molecular drug DB00672
Choline Magnesium Trisalicylate Small molecular drug DB01401
Dapsone Small molecular drug DB00250
Desmopressin Small molecular drug DB00035
Dexibuprofen Small molecular drug DB09213
Diclofenac Small molecular drug DB00586
Diethylcarbamazine Small molecular drug DB00711
Diflunisal Small molecular drug DB00861
Diphenhydramine Small molecular drug DB01075
Dronabinol Small molecular drug DB00470
Eicosapentaenoic Acid/Docosa-hexaenoic Acid Small molecular drug D0Q5XX
Eletriptan Small molecular drug DB00216
Etodolac Small molecular drug DB00749
Etoposide Small molecular drug DB00773
Fenbufen Small molecular drug D06LHG
Fenoprofen Small molecular drug DB00573
Flufenamic Acid Small molecular drug D0B2WJ
Flufenamic Acid Small molecular drug DB02266
Flurbiprofen Small molecular drug DB00712
Gamma-homolinolenic Acid Small molecular drug D0O1TC
Ibuprofen Small molecular drug DB01050
Icosapent Small molecular drug DB00159
Ifosfamide Small molecular drug DB01181
Indomethacin Small molecular drug DB00328
Irbesartan Small molecular drug DB01029
Ketamine Small molecular drug DB01221
Ketoprofen Small molecular drug DB01009
Ketorolac Small molecular drug DB00465
Lornoxicam Small molecular drug DB06725
Loxoprofen Small molecular drug DB09212
Lumiracoxib Small molecular drug DB01283
Meclofenamate Sodium Small molecular drug D0MN9K
Meclofenamic Acid Small molecular drug DB00939
Mefenamic Acid Small molecular drug DB00784
Meloxicam Small molecular drug DB00814
Mesalazine Small molecular drug D0C4YC
Minoxidil Small molecular drug DB00350
Montelukast Small molecular drug DB00471
Nabumetone Small molecular drug DB00461
Naproxen Small molecular drug D0DJ1B
Nateglinide Small molecular drug DB00731
Nepafenac Small molecular drug DB06802
Oxaprozin Small molecular drug DB00991
Phenylbutazone Small molecular drug DB00812
Piroxicam Small molecular drug D00IBN
Rofecoxib Small molecular drug DB00533
Rosiglitazone Small molecular drug DB00412
Salicyclic Acid Small molecular drug D07HBX
Salicylic Acid Small molecular drug DB00936
Salsalate Small molecular drug D0Y0JH
Sulfasalazine Small molecular drug DB00795
Sulindac Small molecular drug DB00605
Suprofen Small molecular drug D07BPS
Tenoxicam Small molecular drug DB00469
Terbinafine Small molecular drug DB00857
Thalidomide Small molecular drug DB01041
Tiaprofenic Acid Small molecular drug DB01600
Tolmetin Small molecular drug DB00500
Triflusal Small molecular drug DB08814
Valproic Acid Small molecular drug DB00313
Voriconazole Small molecular drug DB00582
Zafirlukast Small molecular drug DB00549
Zileuton Small molecular drug DB00744
Zopiclone Small molecular drug DB01198
Acemetacin . DB13783
Bendazac . DB13501
Bufexamac . DB13346
Dexketoprofen . DB09214
Glycol Salicylate . DB11323
Menthyl Salicylate . DB11201
Phenyl Salicylate . DB11071
Tolfenamic Acid . DB09216
Trolamine Salicylate . DB11079
Phase 4
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Imrecoxib Small molecular drug D0AL8M
Phase 3
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Curcumin Small molecular drug D07SDQ
Resveratrol Small molecular drug D0U3EP
Thermoprofen . D0C4DZ
Phase 2
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Epicatechin Small molecular drug D05TPI
Exo-230 . D0F5BL
Preclinical
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(S)-flurbiprofen Small molecular drug D0G2IC
Investigative
Click To Hide/Show 124 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(+)-2-(4-biphenyl)Propionic Acid Small molecular drug DB02047
(-)-3-o-acetylspectaline Small molecular drug D08BPE
(11h-dibenzo[B,E][1,4]Dioxepin-2-yl)-acetic Acid Small molecular drug D0N0YS
(11h-dibenzo[B,E][1,4]Dioxepin-7-yl)-acetic Acid Small molecular drug D0X5RR
(11h-dibenzo[B,E][1,4]Dioxepin-8-yl)-acetic Acid Small molecular drug D0GF9J
(3-chloro-4-propoxy-phenyl)-acetic Acid Small molecular drug D02HVL
(R)-2-(4-isobutyl-phenyl)-n-phenyl-propionamide Small molecular drug D0A4LW
(Z)-2'-des-methyl Sulindac Sulfide Small molecular drug D0D6UC
1,2-dihydro-3-(2,3,4-trimethoxyphenyl)Naphthalene Small molecular drug D0OX0B
1-(4-(Methylsulfonyl)Phenyl)-3-p-tolylurea Small molecular drug D0T7BP
1-(4-(Methylsulfonyl)Phenyl)-3-phenylurea Small molecular drug D0LL9E
1-(4-aminosulfonylphenyl)-2-(2-pyridyl)Acetylene Small molecular drug D0V9AU
1-(4-aminosulfonylphenyl)-2-(4-pyridyl)Acetylene Small molecular drug D0Q8TK
1-(4-iodobenzoyl)-5-methoxy-2-methyl Indole-3-acetic Acid Small molecular drug DB07983
2'-epi-guianin Small molecular drug D05KYE
2,4'-dimethoxy-5,3'-di-(2-propenyl)-biphenyl Small molecular drug D01JYF
2-(1,1'-biphenyl-4-yl)Propanoic Acid Small molecular drug D06FTI
2-(2,3,4-trimethoxyphenyl)-1h-indene Small molecular drug D02CCB
2-(2-(2,6-dimethylphenylamino)Phenyl)Acetic Acid Small molecular drug D0U0YE
2-(2-methoxyphenyl)-1h-indene Small molecular drug D0N7OP
2-(2-methylpropanoyl)-1,3,5-benzenetriol Small molecular drug D0R1UO
2-(3'-allyl-biphenyl-4-yl)-propionic Acid Small molecular drug D0M9RL
2-(3'-ethyl-biphenyl-4-yl)-propionic Acid Small molecular drug D08QAH
2-(3'-ethylsulfanyl-biphenyl-4-yl)-propionic Acid Small molecular drug D02GZX
2-(3'-vinyl-biphenyl-4-yl)-propionic Acid Small molecular drug D0YI3V
2-(3-phenyl-propyl)-1,2-dihydro-indazol-3-one Small molecular drug D0L4TM
2-(N-(2-ffuorophenyl)Pyrrol-3-yl) Acetic Acid Small molecular drug D02FGY
2-(N-(2-fluorophenyl)Pyrrol-2-yl) Acetic Acid Small molecular drug D07STC
2-(P-methylsulfonylbenzoyl)Furan Small molecular drug D00VBX
2-benzyl-1,2-dihydro-indazol-3-one Small molecular drug D0J7YU
2-bromoacetyl Group Small molecular drug D05DOM
2-furan-2-ylmethyl-1,2-dihydro-indazol-3-one Small molecular drug D0SJ3W
2-methyl-1,2-dihydro-indazol-3-one Small molecular drug D0U8CM
2-naphthalen-2-ylmethyl-1,2-dihydro-indazol-3-one Small molecular drug D0X6SA
2-phenethyl-1,2-dihydro-indazol-3-one Small molecular drug D06HUQ
2-phenyl-1,2-dihydro-indazol-3-one Small molecular drug D0S0PB
2-[4-(1h-indol-5-yl)-phenyl]-propionic Acid Small molecular drug D0JQ1T
3 Beta-o-acetyloleanolic Acid Small molecular drug D0ZI8Y
3-(4-methanesulfonyl-phenyl)-1-phenyl-propynone Small molecular drug D09HWQ
4'-methoxy-5,3'-dipropyl-biphenyl-2ol Small molecular drug D0S7ZQ
4,5-bis(4-chlorophenyl)-1,2-selenazole Small molecular drug D0E5MK
4,5-bis(4-chlorophenyl)Isothiazole Small molecular drug D01VRB
4,5-bis(4-methoxyphenyl)-1,2-selenazole Small molecular drug D0D0JE
4,5-bis(4-methoxyphenyl)-3h-1,2-dithiol-3-one Small molecular drug D0X4LI
4,5-bis(4-methoxyphenyl)-3h-1,2-dithiole-3-thione Small molecular drug D02PLG
4,5-bis(4-methoxyphenyl)Isothiazole Small molecular drug D0F0JU
4-(4-chlorophenyl)-5-(4-methoxyphenyl)Isothiazole Small molecular drug D0PQ3Q
4-(4-chlorophenyl)-5-p-tolyl-1,2-selenazole Small molecular drug D09MDB
4-(4-chlorophenyl)-5-p-tolyl-3h-1,2-dithiol-3-one Small molecular drug D0G7RA
4-(4-chlorophenyl)-5-p-tolylisothiazole Small molecular drug D0OW4W
4-(5-(4-hydroxyphenyl)Isothiazol-4-yl)Phenol Small molecular drug D00VHS
4-amino-n-(2-chlorophenyl)Benzenesulfonamide Small molecular drug D0Y7ND
4-amino-n-(4-chlorophenyl)Benzenesulfonamide Small molecular drug D02DYG
4-amino-n-p-tolylbenzenesulfonamide Small molecular drug D04ORY
5,3'-dipropyl-biphenyl-2,4'-diol Small molecular drug D0R6ZC
5-(2-1h-indenyl)-1,3-benzodioxole Small molecular drug D07OAV
5-(2-imidazol-1-yl-ethyl)-7,8-dihydro-quinoline Small molecular drug D04ZGF
5-(4-chlorophenyl)-4-(4-methoxyphenyl)Isothiazole Small molecular drug D0J6TU
5-(4-chlorophenyl)-4-p-tolyl-1,2-selenazole Small molecular drug D08RYB
5-(4-chlorophenyl)-4-p-tolyl-3h-1,2-dithiol-3-one Small molecular drug D00XIX
5-(4-chlorophenyl)-4-p-tolylisothiazole Small molecular drug D03TLR
5-(4-methoxyphenyl)-4-p-tolyl-1,2-selenazole Small molecular drug D07RTV
5-(4-methoxyphenyl)-4-p-tolylisothiazole Small molecular drug D08RCQ
5-ethyl-3,4-diphenyl-isoxazole Small molecular drug D06WML
5-methyl-3,4-diphenyl-isoxazole Small molecular drug D04YPP
5-phenyl-pentanoic Acid Benzyl-hydroxy-amide Small molecular drug D07ARK
Acetic Acid 2-hept-2-ynylsulfanyl-phenyl Ester Small molecular drug D02VLR
Acetic Acid 2-hept-3-ynylsulfanyl-phenyl Ester Small molecular drug D0O8XG
Acetic Acid 2-heptylselanyl-phenyl Ester Small molecular drug D01EWD
Acetic Acid 2-heptylsulfanyl-phenyl Ester Small molecular drug D0X9VY
Acetic Acid 2-hex-2-ynylsulfanyl-phenyl Ester Small molecular drug D00RCV
Acetic Acid 2-hexylsulfanyl-phenyl Ester Small molecular drug D04KAM
Acetic Acid 2-pentylsulfanyl-phenyl Ester Small molecular drug D0M7EI
Acetic Acid Salicyloyl-amino-ester Small molecular drug D09XYZ
Alpha-d-mannose Small molecular drug D07LUR
Arachidonic Acid Small molecular drug D0HD9P
B-octylglucoside Small molecular drug D02UVH
Beta-d-glucose Small molecular drug D07ONX
Beta-d-mannose Small molecular drug D0SD9H
Candesartan Small molecular drug DB13919
Catechin Small molecular drug D0V7AA
Demethoxycurcumin Small molecular drug D03EDF
Dihomo-gamma-linolenic Acid Small molecular drug DB00154
Fr122047 Small molecular drug D09CMJ
Heme Small molecular drug D0UU1I
Hexobarbital Small molecular drug DB01355
Honokiol Small molecular drug D04DQJ
Hyperforin Small molecular drug D09VTJ
Iodoindomethacin Small molecular drug D02HSZ
Iodosuprofen Small molecular drug D0T5DO
Ketobemidone Small molecular drug DB06738
Magnesium Salicylate Small molecular drug DB01397
Methylhonokiol Small molecular drug D01OFH
N-(1h-indazol-5-yl)Acetamide Small molecular drug D0J7YE
N-(3-(Phenylthio)Pyridin-4-yl)Methanesulfonamide Small molecular drug D01WLL
N-(3-phenoxy-4-pyridinyl)Ethanesulfonamide Small molecular drug D0BO9W
N-(3-phenoxy-4-pyridinyl)Propanesulfonamide Small molecular drug D0L6TP
N-(3-phenoxypyridin-4-yl)Methanesulfonamide Small molecular drug D0VF6F
N-(3-phenylamino-4-pyridinyl)Methanesulfonamide Small molecular drug D06DRL
Nabiximols Small molecular drug DB14011
Niflumic Acid Small molecular drug DB04552
Nitroaspirin Small molecular drug DB12445
Nitroflurbiprofen Small molecular drug D04TNI
O-acetyl-l-serine Small molecular drug DB01837
O-acetylserine Small molecular drug D0IB5L
Oxametacin Small molecular drug D0T9QW
P-(2'-iodo-5'-thenoyl)Hydrotropic Acid Small molecular drug D06GSY
Phenazone Small molecular drug D03IRR
Phenidone Small molecular drug D0P1LP
Prifelone Small molecular drug D00GBX
Primary Alcohol Metabolite Of Celecoxib Small molecular drug D0T4VL
Protoporphyrin Ix Containing Co Small molecular drug D07SAI
Resorcinol Small molecular drug D02DBP
Resveratrol Potassium3-sulfate Small molecular drug D0CW3A
Resveratrol Potassium4,-sulfate Small molecular drug D04JZY
Sc-560 Small molecular drug D0M5MI
Seratrodast Small molecular drug DB06739
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(Hydroxymethyl)Propyl]Acetamide . DB07981
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(Hydroxymethyl)Propyl]Acetamide . DB07984
Flurbiprofen Methyl Ester . DB03753
Medical Cannabis . DB14009
Propacetamol . DB09288
Talniflumate . DB09295
Trl-382 . D01HXN
Patented
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Carbamate Derivative 2 Small molecular drug D0S8TB
Withdrawn from market
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Indoprofen Small molecular drug D0Q5PL
Metamizole Small molecular drug D06JRD
Phenacetin Small molecular drug D0O2IE
Discontinued
Click To Hide/Show 6 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Atliprofen Methyl Ester Small molecular drug D03AKL
Droxicam Small molecular drug DB09215
R-ketoprofen Small molecular drug D0ZL4F
Sc-58451 Small molecular drug D0O9JX
Tebufelone Small molecular drug D0P3KA
Crx-401 . D0BZ1Q

References

1 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
2 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
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 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.