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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	doxepin
Molecular formula	C19H21NO
IUPAC name	(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular weight	279.383
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BRD-K37694030-003-02-8 cis-doxepin Doxepin (Z)-isomer NSC 108160 UNII-5ASJ6HUZ7D component ODQWQRRAPPTVAG-BOPFTXTBSA-N (3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine BSPBio_001934 I14-15315 Quitaxon (Salt/Mix) Zonalon (Salt/Mix) 1668-19-5 ACM3607189 Aponal (Salt/Mix) CHEMBL101740 dimethyl(3-{9-oxatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}propyl)amine NCGC00024623-02 Sinequan (Salt/Mix) (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine 3-Dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine BRD-K37694030-003-05-1 Curatin (Salt/Mix) Doxepin hydrochloride (Salt/Mix) ODQWQRRAPPTVAG-BOPFTXTBSA-N UNII-F96TTB8728 (Z)-Doxepin AB00053464_11 CHEBI:36691 DB01142 IDI1_000431 SBI-0051356.P003 (3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine 3-Dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine # AKOS001582771 BDBM50079527 Cidoxepin Novoxapin (Salt/Mix) Spectrum5_001051 (3z)-3-(Dibenzo[b,E]oxepin-11(6h)-Ylidene)-N,N-Dimethylpropan-1-Amine 3607-18-9 BRD-K37694030-003-08-5 D7V F96TTB8728 P-3693A (Salt/Mix) ZINC1148 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl- AC1LDI5F Dibenz(b,e)oxepin-.delta.11(6H),.gamma.-propylamine, N,N-dimethyl- N,N-Dimethyldibenz(b,e)oxepin-.delta.11(6H),.gamma.-propylamine SCHEMBL684837 (3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine 3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine API0006489 [ Show all ]
Inchi Key	ODQWQRRAPPTVAG-BOPFTXTBSA-N
Inchi ID	InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
PubChem CID	667468
ChEMBL	CHEMBL101740
IUPHAR	N/A
BindingDB	50079527
DrugBank	DB01142
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	1270.0 nM	PMID7855217	BindingDB

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