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GLASS

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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	alprenolol
Molecular formula	C15H23NO2
IUPAC name	1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular weight	249.354
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	{2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine BRD-A00993607-003-05-5 CHEMBL266195 DivK1c_000015 Gubernal (TN) KBio2_005784 1-(isopropylamino)-3-(2-allylphenoxy)-2-propanol MolPort-003-717-938 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)- NCGC00089741-02 AB00053431_14 Prestwick2_000250 Alpheprol Spectrum3_001066 API0006555 Aptine (TN) BSPBio_002652 d-isopropylamino-1(allyl 2'phenoxy)-3 propanol DSSTox_RID_80690 HY-B1517 (RS)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol KBioSS_000648 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol NCGC00015099-05 NINDS_000015 ACMC-1C1BC SBI-0050140.P003 Alprenolol [INN:BAN] Spectrum_000168 Yobir BDBM25764 CHEBI:51211 EINECS 237-140-9 KBio2_000648 1-(2-Allylphenoxy)-3-(isopropylamino)-2-propanol # LS-121647 122259-67-0 NCGC00015099-09 AB00053431 Prestwick0_000250 Alfeprol [Russian] SPBio_002259 Alprenololum Apllobal (TN) BRD-A00993607-003-15-4 CS-5734 DSSTox_CID_25127 H-56-28 (-)-1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol KBio3_001872 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol NCGC00015099-03 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)- NCGC00089741-03 AC1L1CYO Prestwick3_000250 Spectrum4_001216 Aptol (TN) CAS-13655-52-2 D01VAB DTXSID0045127 IDI1_000015 (RS)-Alprenolol;dl-Alprenolol L000961 1-isopropylamino-3-(2-allyl)phenoxypropan-2-ol NCGC00015099-06 Oprea1_368995 AKOS016376219 SCHEMBL34636 ALPRENOLOL,(+) Tox21_110084 Yobir (TN) BPBio1_000044 DB00866 GTPL563 KBio2_003216 1-(2-Allylphenoxy)-3-isopropylamino-2-propanol MCULE-8135107027 13655-52-2 NCGC00015099-11 AB00053431-13 Prestwick1_000250 allprenolol Spectrum2_001814 Alprenololum [INN-Latin] Aprenololo BSPBio_000040 CTK0H3293 DSSTox_GSID_45127 HMS2089G06 (-)-alprenolol hydrate d-tartrate KBioGR_001652 1-(o-Allylphenoxy)-3-isopropylamino)-2-propanol NCGC00015099-04 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]- NCGC00089741-04 AC1Q57NL Regletin (TN) Alprenolol (INN) Spectrum5_001414 Tox21_110084_1 Atenenol CCG-204247 D07156 Duriles (TN) KBio1_000015 Lopac0_000152 1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol NCGC00015099-08 655A522 PAZJSJFMUHDSTF-UHFFFAOYSA-N Alfeprol SPBio_001827 ALPRENOLOL,(-) [ Show all ]
Inchi Key	PAZJSJFMUHDSTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
PubChem CID	2119
ChEMBL	CHEMBL266195
IUPHAR	563
BindingDB	25764
DrugBank	DB00866
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	5100.0 nM	Peroutka, PMID1988	PDSP

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