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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	Alpheprol Spectrum3_001066 API0006555 {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 SBI-0050140.P003 Alprenolol [INN:BAN] Spectrum_000168 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 Alfeprol [Russian] SPBio_002259 Alprenololum 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 Prestwick3_000250 Spectrum4_001216 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 SCHEMBL34636 ALPRENOLOL,(+) Tox21_110084 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 allprenolol Spectrum2_001814 Alprenololum [INN-Latin] 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 Regletin (TN) Alprenolol (INN) Spectrum5_001414 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 SPBio_001827 ALPRENOLOL,(-) 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 [ 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	380.0 nM	PMID17827	BindingDB
Ki	4700.0 nM	PMID17827	BindingDB

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