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