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