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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

Ligand

Name	isoproterenol
Molecular formula	C11H17NO3
IUPAC name	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Molecular weight	211.261
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.6
Synonyms	Isoproterenolum 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- Spectrum_000949 DB01064 Izadrin (Salt/Mix) 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol WLN: QR BQ DYQ1MY1&1 DL-Isopropylnorepinephrine KBioSS_001429 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol Epinephrine isopropyl homolog LS-42869 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol Isadrin NCGC00015558-05 683I592 Isoprenaline (INN) NCGC00015558-14 AKOS015913894 Isopropyladrenaline Norisodrine AS1409 Isoproterenol Chloride Oprea1_009434 Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)- Protocatechuyl alcohol,- CAS-7683-59-2 (.+/-.)-Isoproterenol SCHEMBL4165 d-Isopropylarterenol SPBio_003057 D08090 Isuprel 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-(9CI) Tox21_110172 DL(+-)-Isoproterenol KBio2_001429 DSSTox_GSID_23175 L000936 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol GTPL536 N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol Isonorin NCGC00015558-08 AB00053487-10 Isoprenalinum NCGC00025274-04 alpha-(Isopropylaminomethyl)protocatechuyl alcohol Isopropylarterenol NSC 9975 Assiprenol Isoproterenol-l Prestwick0_001097 Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]- (+-)-Isoprenaline Racemic isoproterenol CCRIS 3081 (S)-Isoprenaline .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol Spectrum4_000024 D0P1IS Isuprel Mistometer 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)-(9CI) Vapo-N-iso dl-Isadrine KBio3_001428 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol EINECS 231-687-7 LS-42866 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol ICI 46399 N-Isopropylnorepinephrine Isoprenalina [INN-Spanish] NCGC00015558-11 AC1L1GOZ Isopropydrin Neodrenal Aludrine NSC33791 Bellasthman Proternol BSPBio_002208 (+/-)-isoproterenol SBB005855 CHEMBL434 ISOPROTERONOL 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- ST077771 Dihydroxyphenylethanolisopropylamine JWZZKOKVBUJMES-UHFFFAOYSA-N 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol dl-N-Isopropylnoradrenaline l-Isopropylnoradrenaline 3-13-00-02387 (Beilstein Handbook Reference) Euspiran (Salt/Mix) MCULE-6061231962 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol Isadrine NCGC00015558-06 7683-59-2 Isoprenaline [INN] NCGC00016665-02 Aleudrin Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol Novodrin Asiprenol Isoproterenol [JAN] PDSP1_001425 BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+)- (+)-Isoprenaline Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),- CCG-204727 (A+/-)-Isoproterenol hydrochloride SGCUT00015 d-Isoproterenol Spectrum2_001061 D0I8FI Isuprel (Salt/Mix) 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (+-)- Tox21_110172_1 DL(.+/-.)-Isoproterenol KBio2_003997 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol DSSTox_RID_76904 Lomupren 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol HMS2089A12 N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2 Isoprenalin NCGC00015558-09 AB00053487_11 Isoprenalinum [INN-Latin] NCGC00162220-01 alpha-(Isopropylaminomoethyl)protocatechuyl alcohol Isopropylnoradrenaline NSC-33791 BCP09043 Prestwick1_001097 BRN 2213857 (+-)-Isoproterenol Respifral CHEBI:64317 (S)-Isoproterenol Isoproterenol; .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol Spectrum5_000880 Isupren 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- WIN 5162 dl-Isopropylnoradrenaline KBioGR_000427 3,4-dihydroxy-alpha-[(isopropylamino)methyl]-benzyl alcohol EN300-148243 LS-42868 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride IDI1_000894 NCGC00015558-04 6700-39-6 Isoprenaline NCGC00015558-12 AC1Q1QBS Isopropyl noradrenaline NINDS_000894 API0006523 Isoproterenol (-) NSC9975 Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)- Protocatechuyl alcohol, alpha-(isopropylaminomethyl)- C07056 (.+/-.)-Isoprenaline SBI-0050689.P004 d-Isoprenaline d-N-Isopropylnorepinephrine Isorenin 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI) STL558077 DivK1c_000894 KBio1_000894 149-53-1 DSSTox_CID_3175 l-Isoproterenol 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol FT-0724367 Medihaler-ISO 4-{1-hydroxy-2-[(methylethyl)amino]ethyl}benzene-1,2-diol Isonorene NCGC00015558-07 AB00053487-09 Isoprenalinesulphate NCGC00025274-03 Aleudrine Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol NSC 33791 Asmalar Isoproterenol,(+) PDSP2_001409 BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+-)- (+)-Isoproterenol Racemic isoprenaline CCG-204796 (S)-(+)-Isoproterenol SPBio_001042 Spectrum3_000474 D0IF0C Isuprel (TN) 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)- to_000062 dl-Ipr KBio2_006565 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol DTXSID4023175 Lopac0_000711 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol # I14-45263 N-Isopropylnoradrenaline 46388-38-9 Isoprenalina NCGC00015558-10 AB00053487_12 ISOPROP neo-Epinine Aludrin Isopropylnorepinephrine NSC-9975 BDBM25392 Prestwick2_001097 Bronkephrine (+/-)-isoprenaline Saventrine [ Show all ]
Inchi Key	JWZZKOKVBUJMES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
PubChem CID	3779
ChEMBL	CHEMBL434
IUPHAR	536
BindingDB	25392
DrugBank	DB01064
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	Elliot & Kent, PMID1989	PDSP

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