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