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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	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	D7V F96TTB8728 P-3693A (Salt/Mix) ZINC1148 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl- AC1LDI5F BRD-K37694030-003-08-5 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 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 BRD-K37694030-003-02-8 I14-15315 Quitaxon (Salt/Mix) Zonalon (Salt/Mix) 1668-19-5 ACM3607189 BSPBio_001934 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 Aponal (Salt/Mix) Curatin (Salt/Mix) Doxepin hydrochloride (Salt/Mix) ODQWQRRAPPTVAG-BOPFTXTBSA-N UNII-F96TTB8728 (Z)-Doxepin AB00053464_11 BRD-K37694030-003-05-1 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 CHEBI:36691 Cidoxepin Novoxapin (Salt/Mix) Spectrum5_001051 (3z)-3-(Dibenzo[b,E]oxepin-11(6h)-Ylidene)-N,N-Dimethylpropan-1-Amine 3607-18-9 BDBM50079527 [ 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
IC50	0.01 nM	PMID10447960	BindingDB

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