CFF

CAFFEINE

Created:	2000-05-16
Last modified:	2020-06-05

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72 entries where CFF is found as a standalone ligand

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

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Chemical Component Summary
Name	CAFFEINE
Synonyms	3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name (OpenEye OEToolkits)	1,3,7-trimethylpurine-2,6-dione
Formula	C₈ H₁₀ N₄ O₂
Molecular Weight	194.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N(c1ncn(c1C(=O)N2C)C)C
SMILES	CACTVS	3.341	Cn1cnc2N(C)C(=O)N(C)C(=O)c12
SMILES	OpenEye OEToolkits	1.5.0	Cn1cnc2c1C(=O)N(C(=O)N2C)C
Canonical SMILES	CACTVS	3.341	Cn1cnc2N(C)C(=O)N(C)C(=O)c12
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1cnc2c1C(=O)N(C(=O)N2C)C
InChI	InChI	1.03	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey	InChI	1.03	RYYVLZVUVIJVGH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

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	Thein Teína Anhydrous caffeine 1-methyltheobromine Methyltheobromine Coffeinum Cafeína Coffein Caffeinum 1,3,7-trimethylpurine-2,6-dione Mateína 1,3,7-trimethylxanthine 7-methyltheophylline Caféine Guaranine Theine Koffein Caffeine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 1,3,7-trimethyl-2,6-dioxopurine Caffeine citrate
Brand Names	Headache Relief Added Strength Novo-gesic C15 Excedrin Migraine Blowfish Dg Health Headache Relief Added Strength Acetaminophen Ultra Relief Extra Strength Buscapina Pronal Capsules Extra Strenght Headache Relief Circle K Headache Relief Extra Strength Vivarin Acetaminophen, Caffeine, and 8mg Of Codeine Phosphate Tablets Smart Sense migraine relief Comfort-Time Good Sense Stay Awake Menstrual Relief Extra Strength Pain Reliever Caffeine 200 mg A & C Tablets With Codeine 15mg Panlor SS Good Sense Migraine Formula Wampole-acetaminophen/codeine/caffeine Sunmark stay awake A.C. & C. 8mg Ercaf Fiorinal-C 1/2 Artrifin 24 Caplets Ru-21 Hangover Relief Excedrin Extra Strength and Excedrin Tension Headache Goodys Headache Relief Shot Menstrual Complete Gelcaps Ac&c Tablets Powerbooster original Anacin Caplets Diurex Ultra Smart Sense Stay Awake Butalbital, Acetaminophen and Caffeine Plus Ganmaoling 999 Pain Stoppers Extra Good Sense Headache Relief Acetaminophen, Caffeine & Codeine Sugarloaf Spring Caffeine, Caffeinated Spring Water Excinol Migraine (Acetaminophen) Cafergot Pb Tab Acetaminophen,Caffeine and Pyrilamine Maleate Scot-Tussin Original SF Multi-Symptom First Aid Shot Therapy Pain relief Tylenol With Codeine No. 3 - Tab Tension Headache Relief Bc Circle K NoSnooze Gencebok Complete Menstrual Relief Diurex WaterCaps Ache and Pain Relief to Go Pain Relief Extra Strength GOODYS Hangover Anacin Extra Strength Acetaminophen Caffeine & 8mg Cod Phos Tab Extra Strength Menstrual Complete Trianal C? Extra Strength Pain Aid Acetaminophen, Caffeine & 8mg Codeine Phosphate Tablets Sound Body Migraine Relief NoSnooze Circle K Dristan Capsules Pep-Back Peak Performance Pancold A Equate Migraine Relief Extra Strength Tylenol Daytime Relief Pain Stopper Extra Extra Pain Relief Headache Formula Extra Strength 4229 First Aid Kit Butalbital, Acetaminophen and Caffeine Acetaminophen 325 C & C Exdol-30 Acetaminophen W Codeine Tab Pain Reliever Extra Strength Midol Multi-symptom Caplets Extra Strength Pronal - C1/2 Capsules BC Cherry Alert Zebutal Equaline headache formula added strength Tension Headache Relief Aspirin Free Acetaminophen Headache Ultra Relief Midol Extra Strength Menstrual Butalbital, Acetaminophen and Caffeine with Codeine Phosphate Butalbital, Aspirin, Caffeine and Codeine Phosphate Acetaminophen, Caffeine and 8 Mg Of Codeine Phosphate Tablets Pain Reliever 2 292 Tablets Acetaminophen, Caffeine & Codeine Tablets Pain Aid Acetaminophen-caffeine-codeine Kirkland Signature Migraine Relief JET ALERT Double Strength Pep-Back Ultra Caffeine Maximum Strength Acetaminophen, Aspirin and Caffeine Bayer Rapid Relief Healthy Accents migraine formula Teva-lenoltec No. 3 Asa and Caffeine Headache relief Extra Strength Sedalmex Acetaminophen, Butalbital and Caffeine Tylenol No.1 Caplets Acetylsalicylic Acid, Caffeine & 8 Mg Codeine Phosphate Tablets Unishield Pain Ache Exdol-8 Headache Formula Added Strength Pain Stoppers 292 Tab Novo-gesic-C8 Aramark Back Relief Bc Max PANADOL Extra EXCEDRIN Tension Headache Headache Relief To Go Sunmark Headache Relief Alert Aid Caffeine Capsules 175mg Physicians Care Extra Strength Pain Reliever Tylenol Ultra Relief Extra Strength Headache Relief Goodys Extra Strength Alertness Aid Trezix Acetaminophen 325 Mg Caffeine and Codeine Foster and Thrive Migraine Relief Midol One Xpect Pain Away Amazon Basic Care Migraine Relief Megral Tabs Fiorinal with Codeine Tension Headache Only for Headache Best Choice Pain Relief Powder Headache, Circle K Excedrin PM Triple Action Caplets and Excedrin Tension Headache Acetaminophen 325 Mg With 15 Mg Caffeine and 8 Mg Codeine Phosphate Gravergol Capsules Geworin Care One migraine relief Novo-gesic C30 Alagesic LQ Atasol 8 Elevate Hair Regrowth Foam Dihydrocodeine Bitartrate, Acetaminophen and Caffeine Nu-acetaco #1 Extra Pain Reliever Anacin ES Vtol LQ Acetaminophen Relief Regular Strength Advanced Pain Reliever First Aid Direct Backache and Muscle Relief Capacet Excedrin PM Triple Action Caplets and Excedrin Extra Strength Pain Reliever Oradrine Tablets Pain Free Plus 4248 First Aid Kit Tylenol With Codeine No. 2 - Tab Acetaminophen 500mg Caffeine 65mg Arco Pain Tab Equaline Stay Awake Leader Alertness Aid Stay Awake Midol Complete Gelcaps Caffeine and Sodium Benzoate (extra Strength) Acetaminophen, Caffeine & 8mg Codeine Phosphate Caplets Norgesic Tab Excedrin Extra Strength Pain Reliever Asa-caffeine-codeine Peyona Walgreens Pain Relief Powder Sedal3x Synalgos Nervine Tab Acetaminophen, Caffeine and Dihydrocodeine Bitartrate Excedrin Penzal Q Stay Awake Maximum strength Orphenadrine Citrate, Aspirin and Caffeine Bayer AM extra stength Truemed Group LLC Midol Multi-symptom Gelcap Extra Strength Cafergot Tab 5%Minoxidil Hair Growth Serum DG Health migraine relief Painex Tab 0.5gr Instantine - Tablets Esgic BackAid Inflammatory Pain Formula Butalbital, Aspirin, Caffeine, and Codeine Phosphate Orbivan Phrenilin Alertness Aid Stay Awake Tylenol W Codeine No3 Tab BioElectro Day Basic Care Headache Relief Quality Choice Pain Relief Powder Bc Cherry Aspirin Rapid Relief Added Strength Pain Reliever Health Mart Stay Awake Powerbooster Mild Butalbital, Aspirin and Caffeine Bi Electro Extra Strength Stay Awake Maximum Strength Aerotab Pain Reliever 217 Pain Relief Added Strength 5% Minoxidil Hair Growth Serum Seedalmerk Novo Ac and C 8mg Tab Alert Aid Caffeine Tablets 175mg Goodys Migraine Relief Care One headache relief added strength Spirit (chewable Squares) Dg Health Headache Relief Menstrual Pain Relief Calmine Tab Anacin AF Excedrin Migraine, CVP HEALTH Norgesic Forte Sed-max Butalbital, Acetaminophen, Caffeine Trianal Capsules Triatec Fort/strong Ultra Efficace/ultra Relief Triatec-8 Caffeine Citrate Oral Solution USP Pancold S Adults Acetaminophen and Caffeine Pain Reliever Fever Reducer Re-action E Only For FIRST AID MEDICINE Cafizetamol Forte Migraine Relief Excedrin Mild Headache Caplets PMS-pharnal Capsules MEDIQUE Back Pain Off Butalbital, aspirin, and caffeine Splizz Pain Reliever - Orange-flavored Healthy Accents Stay Awake Exdol 30tab Headache Relief Mild Maximum Strength Menstrual Complete Oradrine 2 Tab Destim - Tab 200mg Dolodol Pamprin Max Menstrual Pain Relief Fairfield Health Products Extra Strength Caring Mill Migraine Relief Acetaminophene Codeine Et Cafeine Fort Ac and C Tab 1/8gr Wigraine Suppositories Arthriten Joint Pain Relief 357 Super Magnum Caffeine Citrate Injection USP Crane Safety XS Pain Relief Medi First Plus Pain Ache PhysiciansCare Extra Stregth Pain Reliever Butalbital, Aspirin, and Caffeine Tension Headache Aspirin Free Acet 2 Good Neighbor Pharmacy headache relief Acet 3 Tension Headache Aspirin-Free Anacin Extra Strength Tablet Vanatol LQ Menstrual Relief Ascomp with Codeine Teen Midol Complete Stay Alert Alertness Aid Bayer Headache Relief Teen Pms Relief Complete Caplets 282 Mep Tab Anacin Careline Perfect Care BB PMS-pharnal-C 1/4 Capsules Lil Drug Store Headache Relief Extra Strength Texaclear Pain Reliever Excedrin Extra Strength Headache Butalbita,Acetaminophen and Caffeine Medique Pain Off Trianal C? Pain Away Plus dihydrocodeine bitartrate and aspirin and caffeine DC Teva-tecnal Signature Care Migraine Relief Family Wellness Migraine Relief Back and Body Extra Strength Thompson XS Pain Ache Teva-lenoltec No. 2 Butalbital, Acetaminophen, and Caffeine Pain Aid ESF Ana-dent Green Guard Pain and Ache Relief Unishield Pain Zapper Diurex Water Pills Saridon - A Aramark Pain Free Splizz Pain Reliever - Grapefruit-flavored Alka-Seltzer Hangover Relief Goodys PM Pain Reliever Powerbooster Original Berkley and Jensen Migraine Relief Exdol 15tab GOODYS Extra Strength Headache Mixed Fruit Blast Madelon Acetaminophen, Caffeine and Codeine Phosphate Tablets Fioricet with Codeine Acetaminophen 250mg Aspirin 250mg Caffeine 65mg Good Neighbor Pharmacy Stay Awake Ultra Headache Relief BioElectro Extra Strength Daytime Pain Relief Midol Extra Strength Gelcaps Extra Strength Headache JET ALERT Regular Strength Extraprin Good Neighbor Pharmacy Headache Relief SohMed Pain Reliever Valumeds Maximum Strength Stay Awake Emertabs Tab Up and Up Migraine Relief Dvorah Alert Tab 100mg Topcare stay awake maximum strength jet-Alert Maximum Strength Alertness Aid Nano Ppc Exaprin-AC Fiorinal Tab NoDoz Alertness Aid Migrafein FORTE Awake Maximum Strength Circle K Headache Relief Sinugex 38 Cove Migraine Relief Excedrin Extra Strength Leader migraine formula Menstrual Complete Maximum Strength Extra Strength Headache, Caseys 4good Careone Stay Awake Dollar General Headache Powders PMS-pharnal Tablets Triaminicin Colds & Flu Caplets Formu Care pain reliever added strength Cl Light 692 Tablet New Hanbang Col Cap Excedrin Extra Strength Caplets Diurex Water Pills XPL Anacin With Codeine Tab Harris Teeter Migraine Relief Asa, Caffeine & 8mg Codeine Phosphate Teva-tecnal C 1/4 Migergot Tamicode Tablets Migraine Formula SMITH BROS WILD CHERRY DAY TIME with Caffeine Soothing Drops Topcare Stay Awake Maximum Strength Bayer Back and Body Extra Strength Acetaminophen, Caffeine, Dihydrocodeine Bitartrate Acetaminophen Aspirin Caffeine Equaline migraine formula Family Wellness Migraine Arthriten Inflammatory Pain Formula Cafergot Sup Apo-acetaco #1 Excedrin Tension Headache Alert Alertness Aid Health Mart Migraine Formula Acetaminophen, Caffeine & 8mg Codeine Phosphate Anacin Extra Strength Caplets Tylenol No1 Forte Tablets With Codeine Smart Sense Migraine Formula Walmart Pain Relief Powder Butalbital/Acetaminophen/Caffeine Ara Menstrual Complete Aramark Pain-Free Extra Strength MigraTen Stay Alert Aid Orphengesic Forte Vanquish Cafergot Pb Sup Novo-propoxyn Compound Cap Extra Strength Contac Plus Cold Nasal Congestion Bayer Headache Acetaminophen Caffeine & 8mg Cod. Phos. Tab Butalbital Compound Pain Stoppers Regular Pronal C1/4 Capsules Excedrin Tension Headache Pain Reliever Arthriten Max 4346 First Aid Kit Neo-Lubrina Fuerte Topcare Pain Reliever Simple Relief Healthy Accents headache relief added strength ConRx pain Reliever First Aid Shot Therapy Hangover Relief Green Guard Extra Strength Pain Relief C2 Tab With Codeine 7 Select Migraine Formula Trianal Tablet EXCEDRIN MIGRAINE acetaminophen, aspirin (nsaid) and caffeine Butal/APAP/Caff Thrulife Extra Strength Headache Relief Ergotamine Tartrate and Caffeine Pain Free Caffeine Dolgic Plus 282 Tab pain relief back and body EXTRA STRENGTH Diurette Water Pills Exaprin Menstrual Complete Pain Relief Isometheptene Mucate, Caffeine, Acetaminophen Exdol 8 Tab Handy Solutions Headache Pain Relief Headache Relief Phrenilin Forte Topcare Headache Relief Margesic Instantine Tab Pain Reliever Added Strength C2 Buffered With Codeine Tab GenCare Headache Relief 999 GANMAOLING Cold Ergodryl Cap Antidol Tablets Xpect Pain Away Extra Strength Backprin Headache Pain Reliever Lil Drug Store NoSnooz Maximum Strength SohMed Alertness Aid Panlor Exdol-15 Vanapain Acetylsalicylic Acid, Caffeine and 8 Mg Codeine Phosphate Zee Painaid Back Relief Formula Acetaminophen 500mg, Caffeine and 8mg Codeine Phosphate Dolex Forte Isometheptene Mucate, Caffeine, and Acetaminophen Neo Tigol Tab Pain Relief Maximum Strength Vanatol S PMS-pharnal-C1/2 Capsules 282 Tablets Cafergot Butalbital Acetaminophen and Caffeine Dolex Fem Tylenol No 1 Tab Herbopyrine Tab 325mg Good Neighbor Pharmacy Migraine Relief Emercidin D Tab Prodrin Butalbital, Acetominophen and Caffeine Uricalm Intensive Norgesic 217 Strong Tab Pain Stoppers EX Cotabs Headache Relief Extra Strength Reese Headache Powders Topcare Headache Formula Excedrin Migraine Geltabs Only For HEADACHE Extra Strength Midol Good Sense headache formula added strength Acetaminophen 500 Mg Compound Tablets With Codeine A.C. & C. 8 mg Acetaminophen 500 Mg With 15 Mg Caffeine and 8 Mg Codeine Phosphate Atasol 30 Headache Relief to Go Tylo Migraine (Acetaminophen) Publix Super Markets Inc A.C. & C 8mg Tab Teva-tecnal C 1/2 A.C.& C Tablets Acetaminophene Codeine Et Cafeine Caplets Butalbital, Acetaminophen, Caffeine and Codeine Phosphate Tylenol Advanced Headache Aspirin, Caffeine, and Dihydrocodeine Bitartrate Topcare Migraine Relief Family Wellness Pain Relief Powder Goodys Acetaminophen 500mg Caffeine 60mg Pyrilamine maleate 15mg Alertness Aid Maximum Strength Diurex Ultimate Cafcit ShopRite Migraine Formula 222 Tablets NoDoz MAXIMUM STRENGTH ALERTNESS AID First Aid Shot Therapy Pain Relief FLO PMS Complete 692 Tab Unishield Back Pain Off Tylenol No.1 Forte Caplets Sedalmex Pain Reliever Acetaminophen Compound Tablets With Codeine 8mg Medi First Plus Pain Zapper Gel Acetaminophen With Codeine - Caplet Acetaminophen 500mg and Caffeine 65mg Leader Headache Formula Added Strength Atasol 15 Stanback C-2 Buffered With Codeine Midol Complete Sunmark Tension Headache Corytab Caffeine Citrate Oral Solution Alka-seltzer Morning Relief C2 Buffered Tab Rx Act headache formula added strength Caffeine Citrate Esgic-Plus Alert Aid Norgesic Forte Tab Orphenadrine Citrate Aspirin Caffeine Ergotamine Extra Strength Back and Body BUTALBITAL, ASPIRIN, CAFFEINE and CODEINE PHOSPHATE Extra Pain Relief Acetaminophen, Aspirin (NSAID) and Caffeine Triatec-8 Fort Ergotamine Tartrate, Caffeine Acetaminophen Aspirin and Caffeine Fioricet Extra Strength Headach Relief Kirkland Signature Migraine Headache Relief Midol Medi First Pain Ache Berkley and Jensen Migraine Formula Excedrin Migraine, TRAVEL BASIX Extra Strength Headache, Circle K A & C Tablets With Codeine 30mg Goodys Cool Orange Headache BC Arthritis Regular Strength Aspirin Goodys Cool Orange Tylenol W Codeine No2 Tab Wigraine Tab Teva-lenoltec No. 1 Extra Strength Midol Relief Cold Remedy Gan Mao Ling Bayer Migraine Formula Health Mart Migraine Relief Lil Drug Store NoSnooze Excedrin Extra Strength Geltabs Medi First Pain Relief Nervine Extra Strength Pain Reliever ConRx Alert C T Acetylsalicylic Acid Codeine and Caf Tab Fiorinal Menstrual Complete Excedrin Menstrual Complete Novominsyrup Menstrual Relief Maximum Strength NoDoz Alertness Aid Maximum Strength Migrenol Anacin Tablet Darvon N Compound Pulvule 405 Dg Health Migraine Relief Sunmark Migraine Relief Butalbital, Acetaminophen, Caffeine, and Codeine Phosphate Phenfree Caffeine 100mg Capsules Pain Reliever Plus Dolomine 37 Vanquish Digital Headache Allertness Aid Basic Care Migraine Relief Pronal Tablets Drowz Away Maximum strength Extra Strength Pain Relief Acetaminophen 300mg, Caffeine & Codeine Acetaminophen, Aspirin, Caffeine Midol Regular EXTRA STRENGTH Headache Relief geltabs Leader Migraine Relief Painex Tab 0.25gr Topcare Migraine Formula Extra Strength Tylenol Total Cough, Cold & Flu Fiorinal-C 1/4 Sunmark migraine relief Citramon
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

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Adenosine receptor A1	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVS...	unknown	antagonist
5'-nucleotidase	MCPRAARAPATLLLALGAVLWPAAGAWELTILHTNDVHSRLEQTSEDSSK...	unknown	inhibitor
Adenosine receptor A2a	MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAA...	unknown	antagonist
Adenosine receptor A2b	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLA...	unknown	antagonist
Adenosine receptor A3	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYF...	unknown	antagonist
Phosphodiesterase enzymes	MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRL...	unknown	inhibitor
3',5'-cyclic-AMP phosphodiesterase 4B	MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNL...	unknown	inhibitor
Ryanodine receptor 1	MGDAEGEDEVQFLRTDDEVVLQCSATVLKEQLKLCLAAEGFGNRLCFLEP...	unknown
Cyclic nucleotide phosphodiesterase	MEPPTVPSERSLSLSLPGPREGQATLKPPPQHLWRQPRTPIRIQQRGYSD...	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
Broad substrate specificity ATP-binding cassette transporter ABCG2	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