Exact Mass: 291.0348
Exact Mass Matches: 291.0348
Found 238 metabolites which its exact mass value is equals to given mass value 291.0348,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Parathion
Parathion is a highly toxic cholinesterase inhibitor that is used as an acaricide and as an insecticide. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors A highly toxic cholinesterase inhibitor that is used as an acaricide and as an insecticide. [HMDB] C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Actara
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1241; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5832; ORIGINAL_PRECURSOR_SCAN_NO 5830 CONFIDENCE standard compound; INTERNAL_ID 1241; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5856; ORIGINAL_PRECURSOR_SCAN_NO 5853 CONFIDENCE standard compound; INTERNAL_ID 1241; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5865; ORIGINAL_PRECURSOR_SCAN_NO 5862 CONFIDENCE standard compound; INTERNAL_ID 1241; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5851; ORIGINAL_PRECURSOR_SCAN_NO 5850 CONFIDENCE standard compound; INTERNAL_ID 1241; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5874; ORIGINAL_PRECURSOR_SCAN_NO 5871 CONFIDENCE standard compound; INTERNAL_ID 1241; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5871; ORIGINAL_PRECURSOR_SCAN_NO 5868 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2941 CONFIDENCE standard compound; INTERNAL_ID 2595 CONFIDENCE standard compound; INTERNAL_ID 8471
Brimonidine
Brimonidine is only found in individuals that have used or taken this drug. It is a drug used to treat glaucoma. It acts via decreasing aqueous humor synthesis. [Wikipedia]Brimonidine is an alpha adrenergic receptor agonist (primarily alpha-2). It has a peak ocular hypotensive effect occurring at two hours post-dosing. Fluorophotometric studies in animals and humans suggest that Brimonidine has a dual mechanism of action by reducing aqueous humor production and increasing uveoscleral outflow. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D - Dermatologicals Brimonidine (UK 14304) is a full α2-adrenergic receptor (α2-AR) agonist.
prontosil
A diphenyldiazene compound having two amino substituents at the 2- and 4-positions and an aminosulphonyl substituent at the 4-position. It was the first antibacterial drug, (introduced 1935) and the first of the sulfonamide antibiotics. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
Crufomate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9553; ORIGINAL_PRECURSOR_SCAN_NO 9552 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9578; ORIGINAL_PRECURSOR_SCAN_NO 9577 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9598; ORIGINAL_PRECURSOR_SCAN_NO 9597 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9618; ORIGINAL_PRECURSOR_SCAN_NO 9616 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9590; ORIGINAL_PRECURSOR_SCAN_NO 9588 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9626; ORIGINAL_PRECURSOR_SCAN_NO 9624
1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione
norsertraline
norsertraline is a metabolite of sertraline. Sertraline hydrochloride (trademark names Zoloft and Lustral) is an antidepressant of the selective serotonin reuptake inhibitor (SSRI) class. It was introduced to the market by Pfizer in 1991. Sertraline is primarily used to treat major depression in adult outpatients as well as obsessive–compulsive, panic, and social anxiety disorders in both adults and children. In 2007, it was the most prescribed antidepressant on the U.S. retail market, with 29,652,000 prescriptions. (Wikipedia) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3623
Hawkinsin
Hawkinsin is a sulfur amino acid identified as (2-L-cystein-S-yl-1,4-dihydroxycyclohex-5-en-1-yl)acetic acid. It is a reactive byproduct of abnormal tyrosine metabolism. Normally, the breakdown of the amino acid tyrosine involves the conversion of 4-hydroxyphenylpyruvate to homogentisate by 4-hydroxyphenylpyruvate dioxygenase. Complete deficiency of this enzyme leads to an inborn error of metabolism called tyrosinemia III. In rare cases, however, the enzyme is still able to produce the reactive intermediate 1,2-epoxyphenyl acetic acid but is unable to convert this intermediate to homogentisate (PMID: 11073718). The intermediate then spontaneously reacts with glutathione to form hawkinsin. Chronically high levels of hawkinsin are associated with hawkinsinuria (characterized by the inability to break down the amino acid tyrosine). Patients with hawkinsinuria excrete hawkinsin in their urine throughout their life. The features of this condition usually appear around the time infants are weaned off breast milk and begin to use formula. The signs and symptoms may include the following: failure to gain weight and grow at the expected rate (failure to thrive), abnormally high acid levels in the blood (acidosis), and fine or sparse hair. Hawkinsin is an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Hawkinsin is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated hawkinsinuria. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. Hawkinsin is a sulfur amino acid identified as (2-l-cystein-S-yl, 4-dihydroxycyclohex-5-en-1-yl)acetic acid. Patients with hawkinsinuria excrete this metabolite in their urine throughout their life, although symptoms of metabolic acidosis and tyrosinemia improve in the first year of life. Alterations in the structure and activity of 4-hydroxyphenylpyruvic acid dioxygenase are causally related to two different metabolic disorders, tyrosinemia type III and hawkinsinuria. (PMID 11073718) [HMDB]
Orciprenaline-3-O-sulfate
Orciprenaline-3-O-sulfate is a metabolite of orciprenaline. Orciprenaline is a bronchodilator used in the treatment of asthma. Orciprenaline is a moderately selective beta2-adrenergic receptor agonist that stimulates receptors of the smooth muscle in the lungs, uterus, and vasculature supplying skeletal muscle, with minimal or no effect on alpha-adrenergic receptors. (Wikipedia)
Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
2',3'-Dideoxycytidine-5'-monophosphate
Cloranolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
N-[2,6-Dichloro-4-(2-chloroethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
Tifenazoxide
zomepirac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
parathion
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3115 D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate
zomepirac
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indole-3-carbaldehyde
norsertraline
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3623 CONFIDENCE standard compound; INTERNAL_ID 1566
Indatraline
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Thiamethoxam
D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals
2-Chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin- 4-amine
Ketone 2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl o-chlorophenyl
ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate
4-(1-Pyrrolidinylsulforylmenthyl)phenylhydrazine hydrochloride
2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine,hydrochloride
[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
tert-butyl 4-(2-bromoethyl)piperidine-1-carboxylate
4-Chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid
Azure A
D004396 - Coloring Agents > D001399 - Azure Stains
4-(2-bromoacetamido)-2,2,6,6-tetramethyl-1-piperidinyloxy
3-OXO-6-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL]ACETIC ACID
2-CHLORO-5-{[ISOPROPYL(METHYL)AMINO]SULFONYL}BENZOIC ACID
tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate
3-(2,5,5-Trimethyl-1,3-dioxan-2-yl)thiophene-2-sulfonamide
3-[(4-Amino-3-methylphenyl)azo]benzenesulfonic acid
2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
N-(3,4-dichlorophenyl)-N-methyl-1H-benzimidazol-2-amine
1,3-Dithietane-2-carboxylic acid, 4-[1-(aminocarbonyl)-2-(1,1-dimethylethoxy)-2-oxoethylidene]
Lobenzarit
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-(5-(MORPHOLINOSULFONYL)THIOPHEN-2-YL)ACETIC ACID
3-(Piperazin-1-yl)benzo[d]isothiazole dihydrochloride
2-(5-CHLOROCARBONYL-2-OXAZOLYL)-5,6-METHYLENEDIOXYBENZOFURAN (OMB-COCL)
1H-Benz[g]indole-3-carboxaldehyde,2-(5-methyl-2-thienyl)-(9CI)
ethyl 5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate
3-(2-Bromoacetamidomethyl)-PROXYL3-(2-Bromoacetamidomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinoxy
Radafaxine hydrochloride
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile
5-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
2-Chloro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
N-[2-(Piperazin-1-yl)phenyl]methylsulphonamide hydrochloride
3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid
1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate
1H-Indazol-5-amine, 1-[(3,4-dichlorophenyl)methyl]
METHYL 7-NITRO-5-OXO-3,5-DIHYDRO-2H-OXAZOLO[2,3-B]QUINAZOLINE-8-CARBOXYLATE
ethyl (E)-3-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
2,3-PYRIDINEDICARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-, DIETHYL ESTER
3-[(TERT-BUTYLAMINO)SULFONYL]-4-CHLOROBENZOIC ACID
2-(2,5-DIMETHOXYPHENYLTHIO)PYRIDINE-3-CARBOXYLIC ACID
tert-butyl N-[(2-bromothiophen-3-yl)methyl]carbamate
7-BENZYL-3-BROMO-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE
7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic Acid
S)-2-((Methoxycarbonyl)amino)-3-Methylbutanoic acid
2,6-Dichloro-4-nitro-benzoic acid tert-butyl ester
(5-((((Benzyloxy)carbonyl)amino)methyl)thiophen-2-yl)boronic acid
1-(5-Bromo-6-methylpyridin-2-yl)piperazine hydrochloride
ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate
7-BENZYL-1-BROMO-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE
5-(3,5-dichlorophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
3-Bromo-7-(furan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
(2S)-ETHYL 2-((CHLORO(PHENOXY)PHOSPHORYL)AMINO)PROPANOATE
(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone
Tifenazoxide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
4-(4-Chlorophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
5-[2-(4-Fluoroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile
3-[[(4-Methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
6-(4-Bromophenyl)-2-methylpyridine-3-carboxylic acid
(5r)-2-Sulfanyl-5-[4-(Trifluoromethyl)benzyl]-1,3-Thiazol-4-One
Cloranolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(2-l-cystein-S-yl-1,4-dihydroxycyclohex-5-en-1-yl)-acetic acid
2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide
4-(4-Chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile
2-{[3-(2-Furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylic acid
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
(3,5-Dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-)
A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3.
5-nitro-2-[[5-(triluoromethyl)-1H-1,2,4-triazol-3-yl]sulanyl]pyridine
4-Hydroxy-3,6-dioxo-2,5-diphenylcyclohexa-1,4-dien-1-olate
(2R)-2-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide
3-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide
parathion
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
brimonidine
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D - Dermatologicals Brimonidine (UK 14304) is a full α2-adrenergic receptor (α2-AR) agonist.
Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Hawkinsin
A cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group. Hawkinsinuria is an inherited disorder which is characterized by the inability to break down the amino acid tyrosine. This results in the finding of certain metabolites in the urine, such as hawkinsin.
THS-044
THS-044 binding stabilizes the HIF2α PAS-B folded state, for regulating HIF2 activity in endogenous and clinical settings. Target: HIF2α Limited trypsin proteolysis reveals that both apo and THS-044-bound protein are efficiently cut at R330 in the extended HI loop. In the THS-044 bound state, there appears no additional proteolysis at the remaining candidate trypsin sites. In contrast, these THS-044-protected sites are protease accessible in the unliganded protein, leading its complete degradation. In parallel, NMR-based deuterium exchange measurements revealed a dramatic stabilization of the THS-044-bound protein β-sheet, with some sites experiencing 100-fold enhanced protection factors relative to the ligand-free protein. THS-044 binding stabilizes the HIF2α PAS-B folded state, for regulating HIF2 activity in endogenous and clinical settings. Target: HIF2α Limited trypsin proteolysis reveals that both apo and THS-044-bound protein are efficiently cut at R330 in the extended HI loop. In the THS-044 bound state, there appears no additional proteolysis at the remaining candidate trypsin sites. In contrast, these THS-044-protected sites are protease accessible in the unliganded protein, leading its complete degradation. In parallel, NMR-based deuterium exchange measurements revealed a dramatic stabilization of the THS-044-bound protein β-sheet, with some sites experiencing 100-fold enhanced protection factors relative to the ligand-free protein.
16-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,10,12(20),14,16,18-octaen-13-one
methyl 4-methoxy-5-[(1e)-3-methoxy-3-oxoprop-1-en-1-yl]furo[2,3-b]pyridine-6-carboxylate
(e)-n-({5-[(r)-methanesulfinyl]-4-methoxy-[2,2'-bipyridin]-6-yl}methylidene)hydroxylamine
methyl 4-methoxy-5-(3-methoxy-3-oxoprop-1-en-1-yl)furo[2,3-b]pyridine-6-carboxylate
10-hydroxyliriodenine
{"Ingredient_id": "HBIN000147","Ingredient_name": "10-hydroxyliriodenine","Alias": "NA","Ingredient_formula": "C17H9NO4","Ingredient_Smile": "C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=C3C=C(C=C5)O","Ingredient_weight": "291.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35604","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11779019","DrugBank_id": "NA"}
