CFF

CAFFEINE

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is present as a standalone ligand in 72 entries

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Chemical Component Summary
Name	CAFFEINE
Synonyms	3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Identifiers	1,3,7-trimethylpurine-2,6-dione
Formula	C₈ H₁₀ N₄ O₂
Molecular Weight	194.191
Type	NON-POLYMER
Isomeric SMILES	Cn1cnc2c1C(=O)N(C(=O)N2C)C
InChI	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey	RYYVLZVUVIJVGH-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB00201 ?
Name	Caffeine
Groups	approved
Description	Caffeine is a drug of the methylxanthine class used for a variety of purposes, including certain respiratory conditions of the premature newborn, pain relief, and to combat drowsiness. Caffeine is similar in chemical structure to [Theophylline] and [Theobromine].[A187691,L9851] It can be sourced from coffee beans, but also occurs naturally in various teas and cacao beans, which are different than coffee beans.[T716] Caffeine is also used in a variety of cosmetic products and can be administered topically, orally, by inhalation, or by injection.[T716] The caffeine citrate injection, used for apnea of the premature newborn, was initially approved by the FDA in 1999.[L9863] According to an article from 2017, more than 15 million babies are born prematurely worldwide. This correlates to about 1 in 10 births. Premature birth can lead to apnea and bronchopulmonary dysplasia, a condition that interferes with lung development and may eventually cause asthma or early onset emphysema in those born prematurely.[A187694] Caffeine is beneficial in preventing and treating apnea and bronchopulmonary dysplasia in newborns, improving the quality of life of premature infants.[T716]
Synonyms	Caffeinum 1,3,7-trimethyl-2,6-dioxopurine Cafeína Thein Anhydrous caffeine Coffein Theine Mateína 1,3,7-trimethylpurine-2,6-dione Methyltheobromine Coffeinum 1-methyltheobromine Caffeine citrate Caffeine Guaranine Teína Caféine 1,3,7-trimethylxanthine Koffein 7-methyltheophylline 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
Brand Names	Tylenol Advanced Headache Goodys Headache Relief Shot 357 Super Magnum Menstrual Complete Berkley and Jensen Migraine Relief Butalbital, Acetaminophen and Caffeine Acetaminophen 325 Mg With 15 Mg Caffeine and 8 Mg Codeine Phosphate Equaline headache formula added strength Ergotamine Acetaminophen 250mg Aspirin 250mg Caffeine 65mg Excinol Migraine (Acetaminophen) Cafergot Sup Sound Body Migraine Relief Maximum Strength Menstrual Complete Sugarloaf Spring Caffeine, Caffeinated Spring Water Blowfish Careone Stay Awake Dollar General Headache Powders Extra Strength Headach Relief Tension Headache Relief Aspirin Free PMS-pharnal Capsules PMS-pharnal-C 1/4 Capsules Thrulife Extra Strength Headache Relief Geworin Vanapain Foster and Thrive Migraine Relief Butalbital, Acetaminophen and Caffeine with Codeine Phosphate Pain Relief Added Strength Acetaminophen, Caffeine & Codeine Diurex Ultra Instantine Tab Walgreens Pain Relief Powder PMS-pharnal-C1/2 Capsules Aerotab Pain Reliever Vivarin Ercaf Acetaminophene Codeine Et Cafeine Caplets Butalbital, Acetaminophen and Caffeine Plus Ergotamine Tartrate, Caffeine Orphenadrine Citrate, Aspirin and Caffeine Topcare Headache Formula Zebutal Acetaminophen 325 C & C Esgic SohMed Pain Reliever Extra Strength Tylenol Total Cough, Cold & Flu Extra Strength Headache Relief Advanced Pain Reliever Extra Pain Reliever Caffeine Citrate Injection USP BioElectro Extra Strength Daytime Pain Relief Teva-lenoltec No. 1 Extra Strenght Headache Relief Saridon - A Butalbital, Acetominophen and Caffeine EXCEDRIN Tension Headache Headache Relief Added Strength Isometheptene Mucate, Caffeine, and Acetaminophen Neo-Lubrina Fuerte Spirit (chewable Squares) Pain Stoppers EX Asa, Caffeine & 8mg Codeine Phosphate Neo Tigol Tab Synalgos Acetaminophen-caffeine-codeine DG Health migraine relief Midol Complete Pep-Back Peak Performance Novo Ac and C 8mg Tab Goodys Extra Strength Good Sense Headache Relief Diurex WaterCaps Midol Extra Strength Menstrual Basic Care Headache Relief Cafergot Cotabs Midol Complete Gelcaps Sed-max Sedalmex Topcare stay awake maximum strength Triatec Fort/strong Ultra Efficace/ultra Relief Butalbital, Acetaminophen, Caffeine and Codeine Phosphate SohMed Alertness Aid Tylenol W Codeine No2 Tab Norgesic Forte Tab C2 Tab With Codeine Stay Alert Aid Anacin Caplets 222 Tablets Extra Strength Midol Alka-Seltzer Hangover Relief JET ALERT Regular Strength Sunmark stay awake Dolgic Plus Excedrin Migraine Geltabs NoDoz Alertness Aid Maximum Strength Goodys Cool Orange Headache Good Neighbor Pharmacy Migraine Relief Isometheptene Mucate, Caffeine, Acetaminophen Ana-dent Menstrual Complete Maximum Strength Pain Stopper Extra Tamicode Tablets Dolomine 37 Gravergol Capsules Orphenadrine Citrate Aspirin Caffeine Asa-caffeine-codeine Norgesic Medi First Pain Relief Stay Awake Excedrin Extra Strength Acetaminophen Caffeine & 8mg Cod. Phos. Tab Trianal C? 292 Tablets Acetaminophen 500mg Caffeine 65mg Handy Solutions Headache Pain Relief Only For HEADACHE Stanback Re-action E Caffeine Destim - Tab 200mg Alert Aid Caffeine Capsules 175mg Goodys PM Pain Reliever Acetaminophen Caffeine & 8mg Cod Phos Tab Vanatol S Reese Headache Powders Migraine Formula Dristan Capsules Bc Max Artrifin 24 Caplets Pain Relief Maximum Strength Acetaminophen, Caffeine, Dihydrocodeine Bitartrate Acetaminophen, Caffeine & 8mg Codeine Phosphate Excedrin PM Triple Action Caplets and Excedrin Extra Strength Pain Reliever Thompson XS Pain Ache Exdol 8 Tab jet-Alert Maximum Strength Alertness Aid Anacin With Codeine Tab 282 Tab Leader Headache Formula Added Strength Pamprin Max Menstrual Pain Relief Powerbooster Original Butalbital Acetaminophen and Caffeine Nu-acetaco #1 Pain Relief Extra Strength Bayer Migraine Formula Cafergot Tab EXTRA STRENGTH Headache Relief geltabs Exaprin Careline Perfect Care BB Health Mart Migraine Formula Sunmark Migraine Relief dihydrocodeine bitartrate and aspirin and caffeine DC NoDoz Alertness Aid Dg Health Headache Relief Added Strength Best Choice Pain Relief Powder GOODYS Hangover Healthy Accents Stay Awake Back and Body Extra Strength PMS-pharnal Tablets Tension Headache Aspirin Free Circle K Headache Relief Extra Strength Gencebok Nervine Tab Headache relief Extra Strength Caffeine Citrate Oral Solution USP GOODYS Extra Strength Headache Mixed Fruit Blast Diurette Water Pills Extra Strength Menstrual Complete Exdol 15tab Triaminicin Colds & Flu Caplets Alert Aid Caffeine Tablets 175mg Tylo Migraine (Acetaminophen) Anacin Tablet Topcare Pain Reliever Simple Relief Unishield Pain Zapper Elevate Hair Regrowth Foam Powerbooster original SMITH BROS WILD CHERRY DAY TIME with Caffeine Soothing Drops Acetaminophen W Codeine Tab Drowz Away Maximum strength Pain Free Midol Topcare Stay Awake Maximum Strength 4346 First Aid Kit Sunmark migraine relief Medi First Plus Pain Zapper Tylenol With Codeine No. 2 - Tab Alertness Aid Maximum Strength Anacin ES Menstrual Relief Acetaminophen, Caffeine & Codeine Tablets Caffeine and Sodium Benzoate Allertness Aid Anacin Extra Strength Sinugex 38 Teva-lenoltec No. 2 Splizz Pain Reliever - Grapefruit-flavored Fairfield Health Products Extra Strength Alert Aid Pain Stoppers Regular Acetaminophen Relief Regular Strength Painex Tab 0.25gr Phrenilin Forte Equate Migraine Relief Dolodol 217 Pain Aid A.C. & C. 8mg Acetaminophen With Codeine - Caplet Pain Aid ESF Caffeine Citrate Oral Solution Tension Headache Relief Arthriten Inflammatory Pain Formula Asa and Caffeine Acetaminophen Ultra Relief Extra Strength BC Arthritis Fiorinal Tab Comfort-Time ShopRite Migraine Formula Caffeine 200 mg Pronal Tablets Extra Strength Pain Aid Exdol-8 Bayer Headache Relief ConRx pain Reliever Berkley and Jensen Migraine Formula Acetaminophen 500 Mg With 15 Mg Caffeine and 8 Mg Codeine Phosphate EXCEDRIN MIGRAINE acetaminophen, aspirin (nsaid) and caffeine Pain Away Plus Ru-21 Hangover Relief Butalbita,Acetaminophen and Caffeine Painex Tab 0.5gr Headache Relief Extra Strength Caffeine Citrate Alert Alertness Aid Teen Midol Complete 217 Strong Tab Tylenol No1 Forte Tablets With Codeine Xpect Pain Away Basic Care Migraine Relief Pain Reliever Fioricet with Codeine A & C Tablets With Codeine 30mg Excedrin Menstrual Complete Texaclear Pain Reliever Pain Free Plus C2 Buffered Tab Ganmaoling 999 Extra Strength Headache Panlor Extra Strength Headache, Circle K Buscapina Circle K NoSnooze Panlor SS Wigraine Suppositories 692 Tablet Peyona Acetaminophen Compound Tablets With Codeine 8mg Darvon N Compound Pulvule 405 Madelon Medi First Plus Pain Ache Teva-tecnal C 1/4 Excedrin First Aid Direct Backache and Muscle Relief Excedrin Migraine Butalbital, Aspirin, Caffeine, and Codeine Phosphate Headache Relief To Go First Aid Shot Therapy Pain Relief Midol Extra Strength Gelcaps Topcare Headache Relief Excedrin Migraine, CVP HEALTH Regular Strength Aspirin Anacin Extra Strength Tablet Orphengesic Forte Acetaminophen, Caffeine and Codeine Phosphate Tablets Bayer Headache 7 Select Migraine Formula FLO PMS Complete 282 Mep Tab 4229 First Aid Kit A & C Tablets With Codeine 15mg Awake Maximum Strength Acetaminophen, Aspirin and Caffeine Fiorinal Goodys Migraine Relief A.C.& C Tablets BioElectro Day Nano Ppc Tylenol Ultra Relief Cl Light Good Neighbor Pharmacy headache relief Migergot Teva-tecnal Valumeds Maximum Strength Stay Awake Aspirin, Caffeine, and Dihydrocodeine Bitartrate Topcare Migraine Formula Ache and Pain Relief to Go Dolex Forte Excedrin PM Triple Action Caplets and Excedrin Tension Headache BackAid Inflammatory Pain Formula Nervine MEDIQUE Back Pain Off Menstrual Relief Extra Strength Phenfree Caffeine 100mg Capsules Caring Mill Migraine Relief Excedrin Tension Headache Herbopyrine Tab 325mg Megral Tabs JET ALERT Double Strength Tylenol No.1 Forte Caplets Fiorinal-C 1/4 Good Sense Migraine Formula MigraTen Pancold A Phrenilin Acetaminophen, Butalbital and Caffeine Butalbital, Aspirin, and Caffeine Butalbital/Acetaminophen/Caffeine Leader Migraine Relief Equaline Stay Awake Excedrin Tension Headache Pain Reliever Dihydrocodeine Bitartrate, Acetaminophen and Caffeine Care One migraine relief Tylenol No.1 Caplets Uricalm Intensive Formu Care pain reliever added strength Only for Headache Exdol 30tab Walmart Pain Relief Powder Goodys Teen Pms Relief Complete Caplets Excedrin Mild Headache Caplets Midol Multi-symptom Gelcap Extra Strength First Aid Shot Therapy Hangover Relief Novo-gesic C30 Exdol-15 Medi First Pain Ache Healthy Accents migraine formula Fiorinal-C 1/2 Sedalmex Pain Reliever Headache Relief to Go Extra Strength Pain Relief Dg Health Migraine Relief Bayer AM extra stength Midol Multi-symptom Caplets Extra Strength Novo-gesic-C8 Ac and C Tab 1/8gr Cafergot Pb Tab C-2 Buffered With Codeine Smart Sense migraine relief New Hanbang Col Cap Teva-lenoltec No. 3 Ascomp with Codeine Unishield Back Pain Off Migrenol Xpect Pain Away Extra Strength Acetaminophen Aspirin and Caffeine Penzal Q A.C. & C 8mg Tab Butalbital, Acetaminophen, Caffeine, and Codeine Phosphate Arthriten Max Bayer Rapid Relief Health Mart Migraine Relief Anacin AF Emertabs Tab Goodys Cool Orange Butalbital, Aspirin and Caffeine Seedalmerk Cafergot Pb Sup A.C. & C. 8 mg Dg Health Headache Relief Arthriten Joint Pain Relief Family Wellness Migraine Relief Splizz Pain Reliever - Orange-flavored Menstrual Complete Gelcaps Scot-Tussin Original SF Multi-Symptom Cafizetamol Forte Extra Pain Relief Acetaminophen, Aspirin (NSAID) and Caffeine Vanatol LQ Green Guard Pain and Ache Relief Pain Reliever Added Strength Antidol Tablets C2 Buffered With Codeine Tab ConRx Alert Good Neighbor Pharmacy Headache Relief Butalbital, Acetaminophen, and Caffeine Physicians Care Extra Strength Pain Reliever Novo-gesic C15 Bc Cherry Margesic Bc Wampole-acetaminophen/codeine/caffeine Novo-propoxyn Compound Cap Adults Acetaminophen and Caffeine Pain Reliever Fever Reducer Acetaminophen 325 Mg Caffeine and Codeine Exdol-30 Good Sense Stay Awake GenCare Headache Relief Harris Teeter Migraine Relief Acetaminophen 500 Mg Compound Tablets With Codeine Butalbital, Aspirin, Caffeine and Codeine Phosphate Caffeine Maximum Strength Good Sense headache formula added strength Vtol LQ Pain Reliever 2 Stay Alert Alertness Aid Excedrin Extra Strength Geltabs Topcare Migraine Relief Leader Alertness Aid Pain Reliever Extra Strength Family Wellness Migraine Acet 2 PhysiciansCare Extra Stregth Pain Reliever Acetaminophen, Caffeine & 8mg Codeine Phosphate Tablets Apo-acetaco #1 Sedal3x Vanquish Oradrine 2 Tab Citramon Diurex Ultimate Wigraine Tab Norgesic Forte Trezix Family Wellness Pain Relief Powder Triatec-8 Fort Pain Stoppers Sunmark Headache Relief Prodrin BC Cherry Smart Sense Migraine Formula Excedrin Extra Strength Pain Reliever Aspirin Rapid Relief 4248 First Aid Kit Cove Migraine Relief Triatec-8 Stay Awake Maximum Strength Smart Sense Stay Awake Acetaminophen 300mg, Caffeine & Codeine Quality Choice Pain Relief Powder Diurex Water Pills XPL Midol Regular Acetaminophen, Caffeine and Dihydrocodeine Bitartrate Acetaminophen,Caffeine and Pyrilamine Maleate Zee Painaid Back Relief Formula Extra Strength Back and Body Extra Strength Contac Plus Cold Nasal Congestion Anacin Extra Strength Caplets Unishield Pain Ache Bayer Back and Body Extra Strength Pain Reliever Plus Corytab Ergotamine Tartrate and Caffeine Fioricet Leader migraine formula Up and Up Migraine Relief Cafcit Care One headache relief added strength Excedrin Extra Strength Caplets Extra Pain Relief PANADOL Extra Extra Strength Midol Relief Fiorinal with Codeine Complete Menstrual Relief 999 GANMAOLING Cold Atasol 15 Headache Relief Trianal C? Excedrin Migraine, TRAVEL BASIX Extra Strength Headache, Caseys 4good Health Mart Stay Awake Lil Drug Store NoSnooze First Aid Shot Therapy Pain relief Added Strength Pain Reliever Pain Stoppers Extra Extra Strength Pain Reliever 292 Tab Green Guard Extra Strength Pain Relief Aramark Back Relief Menstrual Relief Maximum Strength Extraprin Alertness Aid Menstrual Complete Pain Relief Ac&c Tablets Medique Pain Off Acetaminophen 500mg Caffeine 60mg Pyrilamine maleate 15mg Alka-seltzer Morning Relief Acetaminophen Aspirin Caffeine Instantine - Tablets Bi Electro Extra Strength Acetylsalicylic Acid, Caffeine and 8 Mg Codeine Phosphate 692 Tab Acetaminophene Codeine Et Cafeine Fort Oradrine Tablets Migrafein FORTE Diurex Water Pills Acetaminophen, Aspirin, Caffeine Alert Only For FIRST AID MEDICINE Pep-Back Ultra Signature Care Migraine Relief Norgesic Tab Dvorah Tylenol W Codeine No3 Tab Backprin Pronal C1/4 Capsules Headache Formula Added Strength Vanquish Digital Headache Emercidin D Tab NoSnooze Circle K 282 Tablets Circle K Headache Relief Menstrual Pain Relief Crane Safety XS Pain Relief Rx Act headache formula added strength Kirkland Signature Migraine Relief Alertness Aid Stay Awake Butalbital Compound Anacin Pancold S Trianal Capsules Aramark Pain Free Dolex Fem Alagesic LQ Midol One Headache Formula Extra Strength Tension Headache Aspirin-Free Tylenol With Codeine No. 3 - Tab Kirkland Signature Migraine Headache Relief Acetaminophen, Caffeine and 8 Mg Of Codeine Phosphate Tablets Lil Drug Store Headache Relief Extra Strength Pronal - C1/2 Capsules Capacet Novominsyrup Ara Menstrual Complete Ergodryl Cap Butalbital, Acetaminophen, Caffeine Tension Headache Trianal Tablet Orbivan Migraine Relief Aramark Pain-Free Extra Strength Arco Pain Tab Teva-tecnal C 1/2 (extra Strength) Acetaminophen, Caffeine & 8mg Codeine Phosphate Caplets Ultra Headache Relief C T Acetylsalicylic Acid Codeine and Caf Tab Atasol 30 Acetaminophen 500mg and Caffeine 65mg Stay Awake Maximum strength pain relief back and body EXTRA STRENGTH Healthy Accents headache relief added strength Excedrin Extra Strength and Excedrin Tension Headache Pronal Capsules Truemed Group LLC Acetylsalicylic Acid, Caffeine & 8 Mg Codeine Phosphate Tablets Headache Relief Mild Atasol 8 Calmine Tab Acet 3 Acetaminophen 500mg, Caffeine and 8mg Codeine Phosphate NoDoz MAXIMUM STRENGTH ALERTNESS AID Tylenol No 1 Tab Butalbital, aspirin, and caffeine Butal/APAP/Caff Powerbooster Mild Good Neighbor Pharmacy Stay Awake Equaline migraine formula Headache, Circle K Acetaminophen, Caffeine, and 8mg Of Codeine Phosphate Tablets Cold Remedy Gan Mao Ling Headache Pain Reliever Esgic-Plus Acetaminophen Headache Ultra Relief Lil Drug Store NoSnooz Maximum Strength Sunmark Tension Headache Exaprin-AC Alert Tab 100mg
Indication	Caffeine is indicated for the short term treatment of apnea of prematurity in infants and off label for the prevention and treatment of bronchopulmonary dysplasia caused by premature birth.[T716,L9851] In addition, it is indicated in combination with sodium benzoate to treat respiratory depression resulting from an overdose with CNS depressant drugs.[L9899] Caffeine has a broad range of over the counter uses, and is found in energy supplements, athletic enhancement products, pain relief products, as well as cosmetic products.[T716,L9854,L9872]
Categories	Alkaloids Anorexigenic Agents & Respiratory and CNS Stimulants BCRP/ABCG2 Inhibitors Caffeine and Caffeine Containing Products Central Nervous System Agents Central Nervous System Stimulants Central Nervous System Stimulation Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (moderate) Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Diagnostic Agents Drugs for Obstructive Airway Diseases Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Nervous System Neurotransmitter Agents Phosphodiesterase Inhibitors Psychoanaleptics Psychostimulants, Agents Used for ADHD and Nootropics Purinergic Agents Purinergic Antagonists Purines Purinones Respiratory and CNS Stimulants Tests for Gastric Secretion Tricarboxylic Acids Xanthine derivatives
ATC-Code	D11AX26 R03DA20 V04CG30 N06BC01
CAS number	58-08-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenosine receptor A1	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVS...	unknown	antagonist
Adenosine receptor A2a	MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAA...	unknown	antagonist
Adenosine receptor A2b	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLA...	unknown	antagonist
Adenosine receptor A3	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYF...	unknown	antagonist
Phosphodiesterase enzymes	MELSPRSPPEMLEESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGE...	unknown	inhibitor
cAMP-specific 3',5'-cyclic phosphodiesterase 4B	MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNL...	unknown	inhibitor
Ryanodine receptor 1	MGDAEGEDEVQFLRTDDEVVLQCSATVLKEQLKLCLAAEGFGNRLCFLEP...	unknown
Cyclic nucleotide phosphodiesterase	MGSSATEIEELENTTFKYLTGEQTEKMWQRLKGILRCLVKQLERGDVNVV...	unknown	inhibitor
DNA-dependent protein kinase catalytic subunit	MAGSGAGVRCSLLRLQETLSAADRCGAALAGHQLIRGLGQECVLSSSPAV...	unknown	inhibitor
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	MPPGVDCPMEFWTKEENQSVVVDFLLPTGVYLNFPVSRNANLSTIKQLLW...	unknown	inhibitor
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	MPPRPSSGELWGIHLMPPRILVECLLPNGMIVTLECLREATLITIKHELF...	unknown	inhibitor
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	MCFSFIMPPAMADILDIWAVDSQIASDGSIPVDFLLPTGIYIQLEVPREA...	unknown	inhibitor
Inositol 1,4,5-trisphosphate receptor	MSDKMSSFLHIGDICSLYAEGSTNGFISTLGLVDDRCVVQPETGDLNNPP...	unknown	inhibitor
Serine-protein kinase ATM	MSLVLNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDRHSDSK...	unknown	inhibitor
Cytochrome P450 1A2	MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...	unknown	substrate,inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Cytochrome P450 2E1	MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...	unknown	substrate
Cytochrome P450 2C8	MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI...	unknown	substrate
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate
Cytochrome P450 1A1	MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...	unknown	inhibitor
Cytochrome P450 1B1	MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSA...	unknown	substrate
Cytochrome P450 2D6	MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD...	unknown	substrate
ATP-binding cassette sub-family G member 2	MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKS...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
Pharos	CHEMBL113
PubChem	2519
ChEMBL	CHEMBL113
ChEBI	CHEBI:27732
CCDC/CSD	AFEREK, AFEMIJ, AFERAG, AFEQEJ, AFEQIN, AFEQUZ, BEBFUM, AFEQOT, BOXVOC, CIHDUV, ARIFUE, CUYLAM, CESKAN01, CESKAN, AYOROW, BIKPUG, GANXUP, DIPHUH, AGIKUY, ABUWIE, FAKKUA, DASZIH, CAFBAR20, DOZGUX, DIJVOH, DIJWAU, DIPHUH01, EXUQUJ, EXUQUJ05, AGIGEE, CAFINE01, DIJVUN, EXUQUJ01, BOLBAH, EXUQUJ07, EXUQUJ08, EKOQAZ
COD	4510852, 1514629, 1514630, 1514631, 1514632, 1514633, 1514634, 1514635, 4500222, 4500223, 7201982, 2231464, 7108131, 4502539, 2242434, 7205199, 4504936, 4504937, 4504939, 4504938, 4504940, 2105780, 2105781, 2105782, 2105783, 2105785, 2105786, 2105787, 2105788, 4505575, 4505576, 7217869, 7217871, 7217870, 7102559, 7102560, 7207660, 7207661, 7207663, 7207662, 7207664, 7207665, 7207667, 7207674, 7218771, 4507751, 5000108, 7229895, 7229904, 4509292, 4509293, 4509294, 4509296, 1505183, 4509298, 1505182, 4509297, 1505184, 4509299, 1505186

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

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CFF

CAFFEINE

Chemical Component Summary

Chemical Details

Drug Info: DrugBank

Drug Targets

Related Resource References