PAU

PANTOTHENOIC ACID

Created:	2004-03-26
Last modified:	2021-03-13

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	0

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Chemical Component Summary
Name	PANTOTHENOIC ACID
Synonyms	N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE
Systematic Name (OpenEye OEToolkits)	3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid
Formula	C₉ H₁₇ N O₅
Molecular Weight	219.235
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCC(=O)O)C(O)C(C)(C)CO
SMILES	CACTVS	3.370	CC(C)(CO)[CH](O)C(=O)NCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC(C)(CO)C(C(=O)NCCC(=O)O)O
Canonical SMILES	CACTVS	3.370	CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
InChIKey	InChI	1.03	GHOKWGTUZJEAQD-ZETCQYMHSA-N

Drug Info: DrugBank

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

DrugBank ID	DB01783
Name	Pantothenic acid
Groups	approved vet_approved investigational nutraceutical
Description	Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient as it is required to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats. Pantothenic acid is the amide between pantoic acid and β-alanine and commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biological activity. while the levorotatory (L) form may antagonize the effects of the dextrorotatory isomer.
Synonyms	Pantothenate Vitamin B5 D-pantothenic acid Sodium pantothenate (+)-Pantothenic acid Pantothenic acid Calcium pantothenate
Brand Names	Q.T. Vitamin and Mineral Drink Mix Balanced B-100 Timed Release Natal-V RX Multi-vitamin/Multi-mineral TM-Vite RX B-complex Toni Com Liq PureVita Adult Hi Potency Stress B Tension With C Quflora FE Vitamin B5 Tab 50mg USP Chewable Elite OB Prenatal Multivitamin Nitro Vites - Tab T.S. Formula Vita Plex Tab Virt-Pn Vitamin B Complex Plus C 300mg Timed Release Stress B Complex With C, E and Iron Tab Multivitamins and Minerals for Women Sun-rype Vitaburst D'pantothenic Acid Srt 1000mg Pantothenic Acid 500 Caplet 500mg Stress Formula Tab PureFe OB Plus Liquid B Complex 50 Neonatal DHA Multicaps Children's Multivitamins Abavite Men's Shen Min Vitamin and Mineral Supplement B Complex W Vit C W Non-med Yeast&liver Tab Mega-vim 75 With Beta-carotene - Tablets M.V.I. Paediatric Central-vite 18 Essential Calpan Tab 250mg Vitrax Reno Caps Biosculpt Fusion Plus Cavan Heme OB Efferlife Multivitamins and Minerals Pantothenic Acid 100mg Hi Potency Balanced B-100 Complex - Tab Folika-T Vitogen B Stress C Vit E Zinc & Cop Bacmin Extra Once A Day Formula Im-vitamins and Minerals Tab Pantothenic Acid Tab 100mg Spark Cap Vitasure Multivitamines Et Mineraux Kanga-V Multivitamins & Minerals Advanced B & T Formula B Stress C + Iron & Vite Stress B Capsules With Vitamin C Allbee With Vitamin C Cap B Plus C 300mg Timed Release Soluvit N Vitamin B Compound With Vitamin C Fortis Capsule Dtc Children Choice Multivit Chewable Tab Childrens Chewable Vitamin Tab Vitamin B + C Cap Multi II IV Vi Tab Phytopure Red American Eagle Vitamin Supplement Drink Virt Vite GT Vitaphil 90 DHA PureVit DualFe Plus Complete Multivitamins and Minerals Tablets Timed Release L.C. Supplement Complete One A Day Tab Prenate Star Amerix Multivitamin Hi Potency B Complex W Chelated Minerals Kenwood Liquid Supplement Tandem Plus Multi Vitamins & Minerals Vitamin B Compound W C Tab 500mg Prenatal Vitamin and Mineral Supplement C. Vit-min Formula B-100 Vitamin Supplement Formula 9 Tab PNV 27-Ca/Fe/FA Ultra Enerforce Pregvit Folic 4 Liqui B Complex One A Day Advance Adults Complex 5 - Pwr TRONVite Lorid Multipack II Pantothenic Acid Caps 100mg Swical-energy 3e Age VIL-Rx Vitamine 110 Liq B-100 Caps Livita Children PureFe Plus Hylavite Beminal 500 Tab Stress Formula + Iron Zintrexyl-C Gtf Support Caplet Hyalu B5 Serum Chewable Adult Multivitamins With Minerals PreNatal 19 PNV Tabs 29-1 Orti B One A Day Multiple Vit W Minerals Master Key Multi Vitamin Multi Mineral Formula 2 Multi Tabs PureVita Vitamin B5 B Complex With C 300mg One-A-day Advance Fem - Tablets Livita Adults Spectra 301 Vitamin and Mineral Supp Mega Plex IV - Pck Novel Vita Bio-fen Myhephron Dialysis and Stress Supplement B-complex Tab Adrenergy Tablets For-2 Envirocomplex Totalvit Plus Stress B Complex With C,e, Zinc and Copper D Pantothenic Acid Tab 100mg Daily Balance Tab VP-HEME One Dexifol Pantothenic Acid 250mg Prenate Elite Luna Vitamin and Mineral Bar for Women Se-Natal One Fortistress Tab Milltrium Senior Vitamin and Mineral Supplement Irospan 24/6 Multisol Mr. Tumee Multi-vitamin Osteo-force Maxum Multi-vite Balanced B-50 B-complex Vitamins, Timed Rele Vitamin B Complex W C 300mg Tab Balanced B-complex Vit + Vit C&e Tab Formula Cm Dr Angio One Tablet Daily Mens Formula Xvite Vitamin and Mineral Supp Formula 1 B-complex 100 Trinatal GT Snh Formula Prenatal Vitamin and Mineral Supplement Tab Thrivite Rx Vitaplex Vitamin B5 (pantothenic Acid) Tab 250mg Prenatal Mega Antioxidant Tricare Prenatal 2-part Daily Prenatal Vitamin System Balanced B100 Fem Time Tab Paramettes Adults Bear Essentials Hill.vite Stress Tab Alkadrenergy Tablets Vege Swiss One Multivitamin W Chel Mins Tab Essential Vitamins and Minerals Supravite Stress Avec Vit E Et Fer Materna Nutrol-B-complex Vol-Care Rx Children's Chewable Vit and Min Tab Vitamin B Complex Plus 300mg Vitamin C Essential B Tablets Vital-D Rx R.E.S. Complex Magnum-75 Vitamin and Mineral Supplement Sibergin B - Cap Vita B Complex Tab Multi-force for Adults Tab One A Day Tab Swiss One Red Bull Super Multi Viva Kids - Tab Classic Swiss One 10 Multivitamin and Mineral Tab Acti Pantothenic Acid 1000 Timed Caplet Super-cell Corvite FolaMed DHA MYNEPHROCAPS DIALYSIS/STRESS Vitamin Supplement Maximum Once A Day B With C 500 Cap B-100 Complex Tablets 50 Plus Multiple Vitamins & Minerals Multiple Vitamins Plus Iron for Women Zeldana B-complex Tablets Energy 80 Prolonged Release Tab Vita-vim With Beta-carotene - Tab B C Antistress Cap Potassium Plus Vit B Complex Ultra Hr RenaPlex-D Renal Caps Dialysis/Stress Vitamin Supplement Grand Master Formula Tab Prenatal Supplement - Tab Centratex Formula Adr-vitamin B2,b6 W Calpan Tab Micronex Multivitamin Cc II Premium Prenatal Quflora FE Pediatric Drops Right Choice A.M. Multi Formula - Caplet Dialyvite Pantothenic Acid Tab 100mg Nu Life Vit B Complex Plus Vit C 550mg B-complex 50 Men's Biomultiple Vitamin and Mineral Supplement Maxi 10 Tab Formula Gm Stress Formula B-comp + 500mg Vit C Tab Pantothenic Acid Tab 200mg B-50 Complex Tab Stress Formula Vit B With C Complex Vitamin B Complex Suppl Armax Multi #2 Natural Source Spectrum With Beta Carotene Twin Ultra Liquid Fruit Punch Flavor Hydrating B5 serum Prenatvite Complete Kanga-kid Multi-vitamin & Mineral Swiss Total One TL-Fluorivite Escavite D Pantothenic 500mg With 100mg C Glyco-aide Tab Carbassist Tablets VP-Vite Rx Surbex-500 With Iron B-complex-50 Tab Vege 1 Daily Tab RenaPlex Mor-vites Tab Multiple Vitamins W Minerals Tab New Chapter's D'adamo 4 Your Type Multiple for Type O Concept OB Enrich Core Pack - Children Vitamin and Mineral Supplement PNV Ferrous Fumarate Docusate Folic Acid Iron Folate Plus Dp 2000 Senior Multi One C-apnto-B6 Vitamins W Magnesium Tab Pantothenic Acid Balanced B-50 B-complex Vitamins Tab Iberet 500 Prena1 Vol-Tab Rx Vita-vim - Tab vitaMedMD Rx Plus Surbex 500 Filmtab Teravax Multivitamin Women's Biomultiple Vitamin and Mineral Supplement Corvite Free American Eagle Energizer Plus Vitamin Supplement Drink Children's Chewable Multivitamins and Minerals Fortamines-10 Comprimes FolaGent DHA Insur-all Vitamin Supplement Revival 1 Tab Childrens Chewable Vitamins W Iron Vinate AZ Vitaday Junior Tab Twin Ultra Liquid Lemon-lime Flavor Taron-C DHA B Complex 50 Vitamin Cap Formula L.G.I. Enviroflex - Tab Vtb Vitamin and Mineral Supplement T.R.I. B-plex Src Multiple Vitamin Plus Minerals Tab Multi-actin Stress Tab With Zinc, Copper and Vitamin E Doctor's Choice Brand for Men Century Complete HemeNatal OB plus DHA Super Kids Chewable Multivitamin Multimineral (chewable Tablets) B Complex 25mg Vitamin Supplement PureVita B-Complex Multivitamins and Multiminerals Formula Regular Tablet Revitalize Multi-vitamin and Mineral Complex Body Rox Prenatal Formula Tab Pantothenic Acid Tab 250mg Multi-phyto Capsules Liqui Infant Vitamins Multivitamins and Minerals for Young Women Fem - Pmt PreferaOB plus DHA Supravite Stress Avec Vit E Glyco Lite Ect P.N. Vitamin-mineral Drink D-pantothenic Acid 250mg Cap NEONATAL Complete Vitamines Et Mineraux B Complex With C 550mg Multivit-liq Protect Plus SO 60 Formula O.C. Multi Nt-OX Card-floe II Tab Cedevita Sugar-free Vitamin Supplement Super Vita-vim With Beta-carotene - Tab Multiple Vitamins and Minerals Floriva Plus B Totum 500 Adult Formula 50+ Nutrilite Double X Vitamin B Complex Tab Folika-NC Vitamin B Tablets bioJET Vitabanks Vitamin Tab Revit Plus Cap Vita B + C 500 Tab Children's Chewable Tab Multivitamins W Minerals Extra Strength Innersource Tab Materna-tab Pregvit Children's Chewable With Iron Vita-B Meplex T 750 Stress B Complex With C and E Tab Vitogen B Stress C600 Stress Formula Hypo Vites Tab Multivitamins and Minerals Tablets Folitin-Z Numark Multivitamins Trivia Complete Timed Release B-complex 50 Anaplex Tab Ribotin-E Chela Iron Plus C,b Complex Multivitamins and Minerals for Men Ultimate Tab Multi - N.T.O.x Formula - Tab Children's Chew Multi & Min Tab B-plex Nutra Boost Multivitamins and Minerals for Young Men Pantothenic Acid Caps 250mg Usana Megavitamin Tablets - Tab ahoSAN Only One - Tablet Integra Plus Hemarexin Tab Formula F.E.S. Vitamins Tab Lipo-B-C Tab Multivitamins and Minerals With Betacarotene Tablets Dothelle DHA Spectrum 2 Cap Balanced B-50 Complex B50 Complex Daily Energy Brand B-complex Vasodyn Tab Multi Plex I - Tab WesCaps Chewable Children's Complete Multivitamins With Essential Minerals B Complex With C 300mg Tab Pantothenic Acid 500mg Se-Natal 19 Mega Vitaminerals Multivitamin & Multimineral Children's Chewable Multivitamins With Minerals Concept DHA Mega Plex III - Pck Revit Multi-vitamins and Minerals Multi Vitamines - Liq Stress Tablets H.W. Children's Chewable Multi Vit & Mineral Multiple Vitamins and Minerals Capsules PreferaOB ONE One Daily Vitamin and Mineral Dietary Supplement Children Choice Multivitamin W Iron Chew Tab Polymine Avec Zinc Et Cuivre Phosthenine Vitamines Et Fer (ampoules Buvable) Multiple Vitamins - Tablet Provida OB Sopalamine 3b Plus Extra P.N. Vitamin-mineral Drink Mix Nexalife Pantothenic Acid Tab 500mg B-complex With Vitamin C, Biotin, Folic Acid Shen Min Vitamin Supplement Iron 25mg With Vit B-cmplx, Vit C, Cu & Mo Childrens Chewab Vitamin W Chel Minerals Stress Complex 600 Avec Vit E Cuivre Zinc Hyporyl - Tab Multi Spectrum - Tablet Super Charged Energy Bev B-150 B 50 Capsules Hemocyte Plus Pantothenic Acid 500 mg Vitamin B Compound Tab Formula D.S. Children's Multivitamins With Iron High Potency Vitamin B Complex + C Tab B Complex W C Forte Cap RE FAC-x Multivitamines Et Mineraux Reguliers / Regular Multivitamins and Minerals Multi-force for Women Tab Dexatran Twin G.F. Powder Leritone Junior Liqui B Complex Plus Iron, Vit & Min Supp Super-pote Vitamin Supplement 24 Multivitamins + Minerals Stress B-complex Plus Iron With Vitamins C&e Men's 50+ Time Release B 100 Compound - Tablet Formula Statin Support Sopalamine/3b Plus C Vitaflex Dietary Suplement Phytovim Cap Stress Tab With Iron and Vitamin E Supplement De Multivitamines Infusion Arome Fruits Rouges B Plus C 300 mg FolaSync DHA Tri Adrenopan B Complex 500 Tab Diaplex Forty Plus Vitamin Supplement B Virol Pro Hers Vanilla D-pantothenic Acid 250mg Children's Chewable Multivitamin Complete With Minerals Formula Hh TL-Folate Multi B Strovite One Caplets Vit-HA Multi Vitamin and Zinc Supplement Advanced 2000 Capsules Prenatal Vitamin and Mineral Supplement -tab Vita Vim Multivitamins and Minerals Tab Vyqua D'pantothenic Acid-B1-B2 Tab Dialyvite 3000 RE Nata OB Multi Vitamin and Mineral vitamin Complexe B Compose 75 PreferaOB One Formula Gly B-100 Hi Potency B Vitamins Tab B Compound 50mg Tab Envive Dialyvite Supreme D Mega 13 Multivitamin Formula Mega Capsules Multivitamines Et Mineraux Junior Regulier Pantothenic Acid Tablets 300mg Virt-Vite Plus Vitamin B Cpd W Vit C Tab Virt-Caps Allbee C 800 Tab Vitaphil DHA Derma-force B Complex Plus C 300mg Tab Finazol Multi Vitamin & Minerals Vita-B-75 Cap B-plus - Tab Super Daily No 2 Complex-75 vitaMedMD One Rx Formula F L W Multitabs Vita Vim With Beta Carotene-caplet Omega-3 Rx Complete PreGen DHA Women's Change Formula Childrens Multiple Vit and Min Chew Tab Dia-vite DaVITE Multi-vitamin Dietary Supplement PM Caps Genicin Vita-S Multivitamin & Minerals (iron Free) Vitamin B Complex + C 300mg Cap Maxine Vitamin and Mineral Supplement Escavite D Multiple Vitamins & Minerals Tablets Multi Plex II - Tab Pregvit Folic 5 Kanga Sport Vitamins B & C Plus Minerals Oncovite Prena1 Plus Hsn Formula Rocky Mountain Multiple Vit and Min Mega Tab Total Living Concepts Formula One - Tab B Complex Acti-pantothenic Acid 300 Caplet 300mg Solivite Fusion Activator Formula Tab Trinatal Rx 1 B-50 Hi Potency B Vitamins Tab Vc II Adeks Tablets Multivitamins and Minerals - Complete Palm Springs Multvit and Min Tab Formula Js Super Stress Capsules Vitamines Et Mineraux Enfants 970 Children's Chewable Multivitamin and Multimineral Pantothenic Acid-S Tab 100mg Beminal With C Fortis Cap B Complex 50+ Caplet Inner Health Vitamin Supplement Capsules Super Stress Mega B Plus 1000mg Vit C Tab Multi Flow Tablets Multra With Iron One Per Day Vitamin and Mineral Dietary Supplement Pregnancy Multivitamin Folic 5 Multi Pro Harvest Of Values All B Complex Tab B-50 Complex Dr. AVi MULTIVITAMIN with Zinc, Real Ginger, Lemon and Lemongrass Allbee With C 550 Cap Low Potency B Complex Tab Prenatal Vi-min Vitamin B Complex 100 Tab Zenvita Prefera OB plus DHA Vyo Cylate - Pwr Pregnancy Multivitamin Vit B Complex Ctr B Complex W Vitamin C Fortis Cap MI-Vite RX Dialyvite 5000 Pantothenic Acid Ctr Srt 500mg Pantacid Tab 250mg Complete One-A-day - Tab Supravite Stress Avec Vit E Cuivre Et Zinc Cedevita Plus Vitamin Supplement Multi-vitamines Enfants Comprime Great Day/am Formula Tab Stress Ctr Srt Twin Opti Pwr Daily Multiple Vitamins Super B Compound W 500mg Vit C Complexe B 75mg NephPlex Rx Wellness Formula Dialyvite with Zinc Vitamin B Complex 50 Onccor Timed Release B-complex 100 K.L. Vitamin-mineral Isotonix Multitech Vitamin Mineral Supplemen Complexe B-75 Multiple Vitamins With Iron Tablets Stress B With 1000 Mg Vitamin C Balanced B50 Complex Kc Vitamin and Mineral Supplement Supravite Bouteille 250ml Vita-worth B-complex Tablets Se-Tan PLUS Stress B&c Tab Liquid Cda-21 Vitamins With Non-medicinal Probiotic Complex V & M Vitamin and Mineral Supplement High Potency Multivitamins & Minerals Caplets TriphroCaps C-B Complex American Plus Energy & Vitamin Drink Pnv-VP-U Adrenogist Tab Tandem OB Paire OB Plus DHA Twin Ultra Liquid Grape Flavor Folivane-OB Swiss One Multi Vit & Chel Min Tab Zatean-Pn Prenatal Vitamins and Minerals Tablets healthy mamaBE WELL ROUNDED BE WELL ROUNDED Vitamin & Mineral Formula 1 Dietary Supplement Tricare Prenatal Quick Dissolve Stresstabs + Zinc-copper C.R.T. X Multivitamin & Mineral Powder Mix Mega Balance Nephrocaps Balanced B 125 Srt B Complex Tablets Materna - Tab Liqui Vita Replavite Twin Ultra Liquid Orange Flavor Multi-vitamins With Minerals Stress Forte Plus Lipotropic Factors Vitalife - Capsule Bev 29 Tab Hi Potency Multi Tab OB Complete Prenatal VitaPhil Aide Virt-C DHA Super Pantoplex Vitamin B Complex + C 600mg Tab Swiss One Multivitamin and Mineral Caplet Spectrum Performa Multivitamins and Minerals Tablets Swiss One Timed Release Tab Original Bioscal Forte Multi-vitamin Supplement Capsules Multiple Vitamins and Minerals Tab Corvita Foliflex Glyco Plus Ect Livron Plus Tab Se-Natal 19 Chewable One A Day Advance Adults 50+ Timed Release Vita-vim Srt Calcium Pantothenate Tab 250mg Vp-heme Ob DHA Vitamin B Compound W Vit C 250mg Tab Provida DHA Thrivite 19 Men's Multi Master Formula Vitamines Et Mineraux Comprimes Swical-energy-2 Multi Vitamin-mineral Formula Surbex-500 With Zinc Vital Be-100 Fortamines 10 Capsules Nephron FA Nata Komplete HemeNatal OB Stress Vitamin B With C Complex Tablets Megavite Rx Multiple Vitamins With Minerals Tablets Vp-heme Ob Mini-B Tab Twin G.F. Powder Vanilla Flavor Women's Formula Avon Vitadvance Multi-kids Complete Premium Prenatal - Tablets Stress Formula Multivitamin Tablets USP Multiple Vitamins Childrens Chewable Centrum Specialist Prenatal B50 B Complex Tab Kindervites Pantothenic Acid 100 Mg Tablets Vita-Rx Diabetic Vitamin 50 Plus Stress B Complex With C, E & Iron Children's Chewable Multi-vitamin Complete With Minerals Strovite Forte Caplet Complete Mega B Complete Multivitamins and Minerals for Children Super Vita Vim Multivitamins and Minerals Olympian Multi Vit Plus Minerals Tab Formula Lf Neonatal19 Somavit Brand Vitamins and Minerals Complex Earthpals Children's Chewables Multi-vitamin & Mineral Tablets Lipovitan One-A-day Advance Men's Stress Formula Multi-B Comp + 500mg Vit C Cap Balanced B-100 B-complex Vitamins Tab Multi-kid Nioxin Recharging Complex Hoa 1 Folivane-Plus with Ascorbic Acid Precursors Multra Plex WesCap-C-DHA Timed Release B Complex 100 Srt Stress B & C Caplet NewVite Vitamin B Complex W C Tab P.N.P. Vitamin Drink One A Day Advance Fem Calpan Tab 100mg Hi Potency B52 B Complex Tab PNV-Select Lumavex Stressmates Pantothenic Acid Cap 250mg Ob-X Z Bec Tab Multi Vitamin - Mineral Tar-end Virt-PN PreferaOB Kanga-B Vitamin B Group + C Vita-tenic Cap 300mg Dalivit Prenatal and Post Partum Supplement Nephrocaps-QT Maintain Multiple Vitamin & Minerals
Indication	Studied for the treatment of many uses such as treatment of testicular torsion, diabetic ulceration, wound healing, acne, obesity, diabetic peripheral polyneuropathy. It has also been investigated for its hypolipidemic effects and as cholesterol lowering agent.
Categories	Alanine Alimentary Tract and Metabolism Amino Acids Amino Acids, Peptides, and Proteins Blood Coagulation Factors Cicatrizants Dermatologicals Imides Micronutrients Preparations for Treatment of Wounds and Ulcers Vitamin B Complex Vitamins
ATC-Code	D03AX04 A11HA31
CAS number	79-83-4

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
Pantothenate kinase	MSIKEQTLMTPYLQFDRNQWAALRDSVPMTLSEDEIARLKGINEDLSLEE...	unknown

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