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