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