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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	HEAT
Molecular formula	C19H21NO2
IUPAC name	2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
Molecular weight	295.382
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.8
Synonyms	PDSP2_000819 1(2H)-Naphthalenone, 3,4-dihydro-2-(((2-(4-hydroxyphenyl)ethyl)amino)methyl)- AC1L1S9R CHEMBL1515808 L000762 2-Heat BE 2254, (+-)-isomer NSC_34772 40077-13-2 CAS_34772 SCHEMBL6413372 2-(((2-(4-Hydroxyphenyl)ethyl)amino)methyl)-3,4-dihydro-1(2H)-naphthalenone BDBM81809 CTK4I2425 LS-177614 2-[beta-(4-hydroxyphenyl)ethylaminomethyl]tetralone BE-2254 PDSP1_000832 CHEBI:91598 2-(beta-(4-Hydroxyphenyl)ethylaminomethyl)tetralone BE 2254 NCGC00024637-02 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one BRD-A24429032-003-01-6 [ Show all ]
Inchi Key	PZZOEXPDTYIBPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO2/c21-17-9-5-14(6-10-17)11-12-20-13-16-8-7-15-3-1-2-4-18(15)19(16)22/h1-6,9-10,16,20-21H,7-8,11-13H2
PubChem CID	34772
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81809
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.93 nM	PMID1656026	BindingDB

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