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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	propranolol
Molecular formula	C16H21NO2
IUPAC name	1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	INDERIDE-40/25 ALBB-023324 Racemic propranolol KBio2_007651 Avlocardyl (Salt/Mix) Servanolol Kemi S Berkolol Spectrum4_000974 MolPort-001-794-623 Bio1_000856 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine C16H21NO2 .beta.-Propranolol NCGC00024690-03 cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol PDSP1_000767 dl-propranolol 13013-17-7 Prestwick1_000952 EN300-40731 Propanolol,(+/-) HMS2090L21 AB00053537_11 PROPRANOLOL,(+) AC1L1JA4 Propranololo [DCIT] Intermigran Anaprilin Reducor line KBio3_002993 AY-20694 SPBio_003093 Lopac0_000896 Beta-Timelets ST024757 NCGC00015798-06 BRD-A10070317-003-06-9 (.+/-.)-Propranolol CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol NSC91523 D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol PDSP2_000755 Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- Propanalol F0001-3681 525-66-6 Propranolol (INN) IDI1_000023 Inderal hydrochloride AKOS000588816 Proprasylyt KBio2_002515 ARONIS27011 SCHEMBL12264958 KBioGR_002515 BDBM25761 Spectrum3_000883 MCULE-7804628650 Betalong T7896 BSPBio_002682 (S)-(-)-PROPRANOLOL NCGC00015798-09 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol Obzidan DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Pranolol EINECS 208-378-0 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- Propanolol [INN-Spanish] GTPL564 AB00053537 Propranolol [INN:BAN] PROPRANOLOL,(-) INDERIDE-80/25 AN-18866 racemic-Propranolol KBio3_001766 AY 20694 SPBio_001361 KS-00002WT3 beta-Propranolol Spectrum4_001222 NCGC00015798-04 Bio1_001345 (+-)-Propranolol Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol NINDS_000023 Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol PDSP1_001607 DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- Prestwick2_000952 etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Propranalol HMS3428G03 AB00053537_12 AC1Q1QBV Propranololum KB-123971 Anapriline Sawatal KBioGR_001347 b-Propranolol Spectrum2_001301 LS-122410 Betachron STK735510 BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol NCGC00015798-07 CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane Obsidan D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol PDSP2_001591 DTXSID6023525 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) Propanix FE-0204 525P666 Propranolol (TN) Inderal Inderex AKOS016050338 R,S-Propranolol Hydrochloride KBio2_005083 Avlocardyl SCHEMBL3955 KBioSS_002523 Bedranol Spectrum3_001071 Migrastat Bio1_000367 W-109550 C07407 NCGC00024690-02 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol Oprea1_304193 DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol Prestwick0_000952 EINECS 235-867-6 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- PROPANOLOL(-) hemangiol AB00053537-10 PROPRANOLOL, d AB0108847 propranololo Inderol AN-45556 Reducor KBio3_001902 AY 64043 SPBio_001658 L000679 Beta-Tablinen Spectrum5_000751 NCGC00015798-05 BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol NSC 91523 (Salt/Mix) CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol PDSP1_001608 Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Prestwick3_000952 Euprovasin 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) AC1Q1QC0 Propranololum [INN-Latin] KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N SBI-0050871.P003 KBioGR_001684 BBL023437 Spectrum2_001699 LS-184129 Betadren Sumial BSPBio_000944 (A+/-)-Propranolol hydrochloride NCGC00015798-08 CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Obsidan (Salt/Mix) 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol PDSP2_001592 Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- Propanolol FT-0700657 Propranolol Hcl Intensol Inderal (Salt/Mix) [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PubChem CID	4946
ChEMBL	CHEMBL27
IUPHAR	564
BindingDB	25761
DrugBank	DB00571
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<5011.87 nM	PMID26565745	ChEMBL
IC50	<5011.87 nM	PMID26565745	ChEMBL
IC50	1466.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	419.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2260.0 nM	PMID16051647	PDSP
Ki	4068.66 nM	Andorn et al., PMID1984	PDSP
Ki	4100.0 nM	Peroutka, PMID1988	PDSP
Ki	4279.8 nM	Elliot & Kent, PMID1989	PDSP
Ki	9000.0 nM	Peroutka, PMID1988	PDSP

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